2-Nitro-4-(trifluoromethyl)phenol
PubChem CID: 9816
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| Compound Synonyms | 2-Nitro-4-(trifluoromethyl)phenol, 400-99-7, 4-Hydroxy-3-nitrobenzotrifluoride, Phenol, 2-nitro-4-(trifluoromethyl)-, 2-Nitro-4-Trifluoromethylphenol, BRN 2215510, EINECS 206-927-9, MFCD00009791, DTXSID6059946, XZEDEVRSUANQEM-UHFFFAOYSA-, 2-nitro-4-trifluoromethyl-phenol, 4-06-00-02150 (Beilstein Handbook Reference), 2-Nitro-alpha,alpha,alpha-trifluoro-p-cresol, CU9AQU8UAL, p-Cresol, 2-nitro-alpha,alpha,alpha-trifluoro-, SCHEMBL1026402, DTXCID2039704, AKOS005063851, 4-TRIFLUOROMETHYL-2-NITROPHENOL, AC-3815, AS-8579, CS-W015280, SB73977, 2-Nitro-4-(trifluoromethyl)phenol, 99%, SY016858, DB-023985, N0779, NS00042724, EN300-99178, 2-Nitro-.alpha.,.alpha.,.alpha.-trifluoro-p-cresol, p-Cresol, 2-nitro-.alpha.,.alpha.,.alpha.-trifluoro-, Z448245556, 206-927-9 |
|---|---|
| Topological Polar Surface Area | 66.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 225.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-nitro-4-(trifluoromethyl)phenol |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C7H4F3NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XZEDEVRSUANQEM-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -3.113 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.056 |
| Compound Name | 2-Nitro-4-(trifluoromethyl)phenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 207.014 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 207.014 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 207.11 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.783406257142857 |
| Inchi | InChI=1S/C7H4F3NO3/c8-7(9,10)4-1-2-6(12)5(3-4)11(13)14/h1-3,12H |
| Smiles | C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Tylophora Ovata (Plant) Rel Props:Source_db:cmaup_ingredients