o-Chlorobenzoic acid
PubChem CID: 8374
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| Compound Synonyms | 2-Chlorobenzoic acid, 118-91-2, O-CHLOROBENZOIC ACID, Benzoic acid, 2-chloro-, Benzoic acid, o-chloro-, 2-Cba, Kyselina o-chlorbenzoova, CHLOROBENZOIC ACID, Benzoic acid, chloro-, Kyselina o-chlorbenzoova [Czech], OCBA, 2-chloro-benzoic acid, CCRIS 5993, HSDB 6017, EINECS 204-285-4, MFCD00002412, NSC 15042, BRN 0907340, DTXSID4024771, CHEBI:30793, AI3-03714, NSC-15042, 26264-09-5, CHLOROBENZOIC ACID, O-, DTXCID304771, 8P0867193V, O-CHLOROBENZOIC ACID [MI], O-CHLOROBENZOIC ACID [HSDB], RWJ-333369 METABOLITE M4, MESALAZINE IMPURITY L [EP IMPURITY], WLN: QVR BG, MEFENAMIC ACID IMPURITY C [EP IMPURITY], TOLFENAMIC ACID IMPURITY A [EP IMPURITY], R300100, chlorobenzoate, KYSELINA O-CHLORBENZOOVA (CZECH), MESALAZINE IMPURITY L (EP IMPURITY), MEFENAMIC ACID IMPURITY C (EP IMPURITY), TOLFENAMIC ACID IMPURITY A (EP IMPURITY), UNII-8P0867193V, 2chlorobenzoic acid, Mefenamic Acid Imp. C (EP), Mesalazine Imp. L (EP), 2-Chlorobenzoic Acid, Mefenamic Acid Impurity C, Mesalazine Impurity L, Tolfenamic Acid Impurity A, EINECS 247-558-3, Benzoic acid,chloro-, Benzoic acid, ochloro, Kyselina ochlorbenzoova, 2-chloro benzoic acid, Benzoic acid, 2chloro, SCHEMBL367, bmse000332, M02 2-chlorobenzoic acid, NCIOpen2_004799, 2-Chlorobenzoic acid, 98%, CHEMBL115243, CHEBI:23134, DTXSID001058206, CS-B1789, NSC15042, NSC32737, Tox21_200286, NSC-32737, STK301675, AKOS000119016, FC20192, PS-5349, NCGC00090894-01, NCGC00090894-02, NCGC00257840-01, 2-Chlorobenzoic acid, analytical standard, CAS-118-91-2, o-Chlorobenzoic acid, 2-CBA, NSC 15042, DB-024373, NS00001438, EN300-18043, C02357, D77315, AB-131/40168737, Q2823208, 2-Chlorobenzoic acid, Vetec(TM) reagent grade, 98%, Z57127537, 2-Chlorobenzoic Acid Zone Refined (number of passes:20), F9995-1661, 204-285-4, 247-558-3 |
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| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 136.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a., P00352, P0A0J7, P19838 |
| Iupac Name | 2-chlorobenzoic acid |
| Prediction Hob | 1.0 |
| Target Id | NPT94 |
| Xlogp | 2.1 |
| Molecular Formula | C7H5ClO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IKCLCGXPQILATA-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -1.686 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.3 |
| Compound Name | o-Chlorobenzoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 155.998 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 155.998 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 156.56 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4802216 |
| Inchi | InChI=1S/C7H5ClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10) |
| Smiles | C1=CC=C(C(=C1)C(=O)O)Cl |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Brassica Napus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all