4-Nitrophenol
PubChem CID: 980
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 4-Nitrophenol, p-nitrophenol, 100-02-7, Phenol, 4-nitro-, Paranitrophenol, Niphen, 4-Hydroxynitrobenzene, p-Hydroxynitrobenzene, para-nitrophenol, Phenol, p-nitro-, Mononitrophenol, Paranitrofenol, Paranitrofenolo, p-Nitrofenol, 4-Nitrofenol, Caswell No. 603, RCRA waste number U170, NCI-C55992, p-Nitrofenol [Czech], Paranitrofenol [Dutch], 4-Nitrofenol [Dutch], Paranitrophenol [French,German], Paranitrofenolo [Italian], 1-Hydroxy-4-nitrobenzene, PNP, UN1663, CCRIS 2316, EPA Pesticide Chemical Code 056301, CHEBI:16836, HSDB 1157, 4-nitro-phenol, AI3-04856, RCRA waste no. U170, NSC 1317, EINECS 202-811-7, UNII-Y92ZL45L4R, MFCD00007331, DTXSID0021834, NITROPHENOL, P-, NSC-1317, PHENOL,4-NITRO, P-NITROPHENOL [MI], 4-NITROPHENOL [HSDB], P-NITROPHENOL [MART.], DTXCID201834, SR-1C2, Y92ZL45L4R, EC 202-811-7, p-Nitrophenol [UN1663] [Poison], PARACETAMOL IMPURITY F [EP IMPURITY], P-NITROPHENOL (MART.), CAS-100-02-7, Nitrophenol (para), NPO, PARACETAMOL IMPURITY F (EP IMPURITY), 4-Nitrophenol Solution in Methanol, 100ug/mL, pNitrofenol, pNitrophenol, 4nitrophenol, 4Nitrofenol, p-nitro phenol, Phenol, pnitro, 4-nitryl phenol, 4- nitrophenol, 4-nitro phenol, 4-nitrophenol-, Phenol, 4nitro, 3qvu, phenol, 4-nitro, pHydroxynitrobenzene, 4Hydroxynitrobenzene, RPN, para-hydroxynitrobenzene, WLN: WNR DQ, 4-Hydroxy-1-nitrobenzene, bmse000223, Epitope ID:161303, O2NC6H4OH, SCHEMBL1839, CHEMBL14130, SGCUT00249, 4-Nitrophenol, puriss., 99%, SCHEMBL13906248, SCHEMBL14501907, BDBM31678, CHEBI:39362, NSC1317, 4-Nitrophenol, Reference Material, to_000002, Tox21_202444, Tox21_300117, 4-Nitrophenol, reagent grade, 98%, MSK9037-100M, s6196, STL281865, AKOS000118985, 4-Nitrophenol, spectrophotometric grade, DB04417, FN00318, RP10002, USEPA/OPP Pesticide Code: 056301, NCGC00247904-01, NCGC00247904-02, NCGC00254220-01, NCGC00259993-01, 1ST9037-100M, 4-Nitrophenol 100 microg/mL in Methanol, 4-Nitrophenol, ReagentPlus(R), >=99%, AS-13146, BP-20405, 4-Nitrophenol 10 microg/mL in Acetonitrile, DS-005476, N0161, N0162, N0220, NS00010495, EN300-18010, 4-Nitrophenol, JIS special grade, >=99.0%, C00870, 4-Nitrophenol, PESTANAL(R), analytical standard, A800004, AE-562/40217722, Q656269, Z57127483, F9995-1636, 4-Nitrophenol, certified reference material, TraceCERT(R) |
|---|---|
| Topological Polar Surface Area | 66.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Description | 4-Nitrophenol is a phenolic metabolite of environmental chemicals present in samples from the general population. 4-Nitrophenol measurement in urine is used in biological monitoring for establishing the presence and magnitude of exposures to pesticides. (PMID 15899376) (Methods in Biotechnology, 2006,61-78) [HMDB] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 123.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Enzyme Uniprot Id | Q15166, P27169, Q15165, P15309, Q9NPH0, Q9BZG2, B5MCC7 |
| Uniprot Id | P00592, P22310, P22309, Q9HAW8, P35503, P19224, Q9HAW7, Q9HAW9, P36537, P54855, O75795, P06133, P16662, P00720, P10275, P19838 |
| Iupac Name | 4-nitrophenol |
| Prediction Hob | 1.0 |
| Class | Benzene and substituted derivatives |
| Xlogp | 1.9 |
| Superclass | Benzenoids |
| Subclass | Phenols and derivatives |
| Molecular Formula | C6H5NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BTJIUGUIPKRLHP-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -1.601 |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Logd | 1.812 |
| Synonyms | 1-Hydroxy-4-nitrobenzene, 4-Hydroxynitrobenzene, 4-Nitrophenol, Mononitrophenol, Niphen, p-Hydroxynitrobenzene, p-Nitrophenol, Paranitrophenol, PNP |
| Substituent Name | Nitrophenol derivative, Nitrobenzene, Aminophenol, Organic nitro compound, C-nitro compound, Organic 1,3-dipolar compound, Propargyl-type 1,3-dipolar organic compound, Allyl-type 1,3-dipolar organic compound, Organic oxoazanium, Hydrocarbon derivative, Organic salt, Organooxygen compound, Organonitrogen compound, Organic zwitterion, Aromatic homomonocyclic compound |
| Compound Name | 4-Nitrophenol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 139.027 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 139.027 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 139.11 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.283782 |
| Inchi | InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H |
| Smiles | C1=CC(=CC=C1[N+](=O)[O-])O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crataegus Pinnatifida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all