| CAS Number | 1565102-53-5 |
| Catalog Number | AG01E91D |
| Chemical Name | 6-Fluoro-2-methyl-1H-benzo[d]imidazole-5-carboxylic acid |
| IUPAC Name | 6-fluoro-2-methyl-1H-benzimidazole-5-carboxylic acid |
| InChI | InChI=1S/C9H7FN2O2/c1-4-11-7-2-5(9(13)14)6(10)3-8(7)12-4/h2-3H,1H3,(H,11,12)(H,13,14) |
| InChI Key | XYQXKHCXNTVFLU-UHFFFAOYSA-N |
| MDL Number | MFCD26858695 |
| Molecular Formula | C9H7FN2O2 |
| Molecular Weight | 194.1625 |
| SMILES | CC1NC2=C(C=C(C(=C2)F)C(O)=O)N=1 |
| Synonyms | 1565102-53-5,
6-fluoro-2-methyl-1H-1,3-benzodiazole-5-carboxylic acid,
6-Fluoro-2-methyl-1H-benzo[d]imidazole-5-carboxylic acid,
SCHEMBL17285620,
AKOS030632129,
ZINC133006594,
Z2588063784,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.165g/mol |
| Monoisotopic Mass | 194.049g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number