| CAS Number | 1420800-25-4 |
| Catalog Number | AG009WWK(AGN-PC-0WAC5P) |
| Chemical Name | 7-Bromo-1,2-dimethylbenzodiazole-5-carboxylic acid |
| IUPAC Name | 7-bromo-1,2-dimethylbenzimidazole-5-carboxylic acid |
| InChI | InChI=1S/C10H9BrN2O2/c1-5-12-8-4-6(10(14)15)3-7(11)9(8)13(5)2/h3-4H,1-2H3,(H,14,15) |
| InChI Key | LXENVJKUNCQATJ-UHFFFAOYSA-N |
| MDL Number | MFCD22689139 |
| Molecular Formula | C10H9BrN2O2 |
| Molecular Weight | 269.0947 |
| SMILES | OC(=O)c1cc(Br)c2c(c1)nc(n2C)C |
| Synonyms | 7-Bromo-1,2-dimethylbenzodiazole-5-carboxylic acid,
1420800-25-4,
KM5723,
ZINC84648205,
AKOS023479235,
V3149,
7-BROMO-1,2-DIMETHYL-1H-1,3-BENZODIAZOLE-5-CARBOXYLIC ACID,
C10H9BrN2O2,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.098g/mol |
| Monoisotopic Mass | 267.985g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number