Completing data — usually done within a minute
Basic information
- CAS
204514-08-9- Standard SMILES
O=C(O)c1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1- InChIKey
NZFGXUUCPFNSSR-UHFFFAOYSA-N- Molecular formula
- C14H9ClN2O2
- Average molar mass
- 272.68 g/mol
- Monoisotopic mass
- 272.03525521
Names & identifiers
- Preferred name
- 4-(5-chloro-1H-benzimidazol-2-yl)benzoic acid
- IUPAC
- 4-(6-chloro-1H-benzimidazol-2-yl)benzoic acid
Names & synonyms
204514-08-94-(5-chloro-1H-benzimidazol-2-yl)benzoic acid4-(6-chloro-1H-benzimidazol-2-yl)benzoic acid4-(6-Chloro-1H-benzo[d]imidazol-2-yl)benzoic acidBenzoic acid, 4-(5-chloro-1H-benzimidazol-2-yl)-4-(5-chlorobenzimidazol-2-yl)benzoic acidNSC657183SCHEMBL3200579SCHEMBL5651352CHEMBL1973035DTXSID80327449NZFGXUUCPFNSSR-UHFFFAOYSA-N
Show more names
STL374142AKOS010206916NSC-657183NCI60_0198044-(5-chloro-1H-benzoimidazol-2-yl)-benzoic acidAJ-077/332700554-(6-Chloro-1H-1,3-benzimidazol-2-yl)benzoic acid
Database identifiers
- CAS
204514-08-9- PubChem CID
- 376351
- DTXSID
DTXSID80327449- ChEMBL
CHEMBL1973035
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 344
Chemistry & industry
Suppliers3 total
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
Related reactions
2 records
Compound notes
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