| CAS Number | 1193387-31-3 |
| Catalog Number | AG01EK7M(AGN-PC-0WO70K) |
| Chemical Name | 6-Fluoro-1h-1,3-benzodiazole-4-carboxylic acid |
| IUPAC Name | 6-fluoro-1H-benzimidazole-4-carboxylic acid |
| InChI | InChI=1S/C8H5FN2O2/c9-4-1-5(8(12)13)7-6(2-4)10-3-11-7/h1-3H,(H,10,11)(H,12,13) |
| InChI Key | QYORNABIQXMJPL-UHFFFAOYSA-N |
| MDL Number | MFCD12912801 |
| Molecular Formula | C8H5FN2O2 |
| Molecular Weight | 180.1359 |
| SMILES | FC=1C=C(C2=C(NC=N2)C1)C(=O)O |
| Synonyms | 6-fluoro-1H-1,3-benzodiazole-4-carboxylic acid,
1193387-31-3,
6-Fluoro-1H-benzo[d]imidazole-4-carboxylic acid,
1H-Benzimidazole-7-carboxylic acid, 5-fluoro-,
AC1Q72QL,
SCHEMBL15093624,
CTK7B7973,
QYORNABIQXMJPL-UHFFFAOYSA-N,
MFCD12912801,
ZINC36379567,
AKOS008140253,
MCULE-7372405073,
NE17569,
6-fluoro-benzimidazole-4-carboxylic acid,
BS-13845,
6-fluoro-1H-benzimidazole-4-carboxylic acid,
EN300-50091,
AB01002666-01,
Z607822404,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.138g/mol |
| Monoisotopic Mass | 180.034g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number