| CAS Number | 1018278-53-9 |
| Catalog Number | AG01EKIB |
| Chemical Name | 2-(3-Chlorophenyl)-1H-benzimidazole-5-carboxylic acid |
| IUPAC Name | 2-(3-chlorophenyl)-3H-benzimidazole-5-carboxylic acid |
| InChI | InChI=1S/C14H9ClN2O2/c15-10-3-1-2-8(6-10)13-16-11-5-4-9(14(18)19)7-12(11)17-13/h1-7H,(H,16,17)(H,18,19) |
| InChI Key | CMXJACFXYBTVAJ-UHFFFAOYSA-N |
| MDL Number | MFCD10007770 |
| Molecular Formula | C14H9ClN2O2 |
| Molecular Weight | 272.6865 |
| SMILES | OC(C1=CC2=C(NC(C3=CC(Cl)=CC=C3)=N2)C=C1)=O |
| Synonyms | 2-(3-Chlorophenyl)-1H-benzimidazole-5-carboxylic acid,
1018278-53-9,
2-(3-chlorophenyl)-1H-1,3-benzodiazole-5-carboxylic acid,
SCHEMBL3169740,
CTK6H2475,
ZX-AT015102,
MFCD10007770,
ZINC15022107,
AKOS009356522,
AKOS025148851,
MCULE-2997511130,
OR13865,
SEL10301993,
NS-04398,
2-(3-chlorophenyl)-1H-1,3-benzimidazole-5-carboxylic acid,
2-(3-chlorophenyl)-1H-1,3-benzodiazole-5-carboxylicacid,
CMXJACFXYBTVAJ-UHFFFAOYSA-N,
|
| Complexity | 352 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.688g/mol |
| Monoisotopic Mass | 272.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number