| CAS Number | 958863-32-6 |
| Catalog Number | AG01AD5G(AGN-PC-0WO3C1) |
| Chemical Name | (6-Bromo-1-methyl-1h-1,3-benzodiazol-2-yl)methanol |
| IUPAC Name | (6-bromo-1-methylbenzimidazol-2-yl)methanol |
| InChI | InChI=1S/C9H9BrN2O/c1-12-8-4-6(10)2-3-7(8)11-9(12)5-13/h2-4,13H,5H2,1H3 |
| InChI Key | GUVVIXRQUZWJQY-UHFFFAOYSA-N |
| MDL Number | MFCD27500721 |
| Molecular Formula | C9H9BrN2O |
| Molecular Weight | 241.0846 |
| SMILES | OCC1=NC2=CC=C(Br)C=C2N1C |
| Synonyms | (6-bromo-1-methyl-1H-1,3-benzodiazol-2-yl)methanol,
958863-32-6,
1H-Benzimidazole-2-methanol, 6-bromo-1-methyl-,
SCHEMBL4777935,
GUVVIXRQUZWJQY-UHFFFAOYSA-N,
ZINC95883702,
AKOS026727172,
NE43523,
(6-bromo-1-methyl-1H-benzo[d]imidazol-2-yl)methanol,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.088g/mol |
| Monoisotopic Mass | 239.99g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number