| CAS Number | 1267297-25-5 |
| Catalog Number | AG01BG91 |
| Chemical Name | 2-(5,6-difluoro-2-methyl-1H-1,3-benzodiazol-1-yl)acetic acid |
| IUPAC Name | 2-(5,6-difluoro-2-methylbenzimidazol-1-yl)acetic acid |
| InChI | InChI=1S/C10H8F2N2O2/c1-5-13-8-2-6(11)7(12)3-9(8)14(5)4-10(15)16/h2-3H,4H2,1H3,(H,15,16) |
| InChI Key | OTMOXUQANGOJJM-UHFFFAOYSA-N |
| MDL Number | MFCD17226412 |
| Molecular Formula | C10H8F2N2O2 |
| Molecular Weight | 226.1795 |
| SMILES | FC1=CC2=C(N(C(=N2)C)CC(=O)O)C=C1F |
| Synonyms | 2-(5,6-difluoro-2-methyl-1H-1,3-benzodiazol-1-yl)acetic acid,
1267297-25-5,
ZINC55306149,
AKOS012100804,
Z1945704787,
|
| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.183g/mol |
| Monoisotopic Mass | 226.055g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number