| CAS Number | 40644-16-4 |
| Catalog Number | AG00CMY0(AGN-PC-0WOIAU) |
| Chemical Name | 4-Bromo-1,3-dihydro-benzoimidazol-2-one |
| IUPAC Name | 4-bromo-1,3-dihydrobenzimidazol-2-one |
| InChI | InChI=1S/C7H5BrN2O/c8-4-2-1-3-5-6(4)10-7(11)9-5/h1-3H,(H2,9,10,11) |
| InChI Key | MRCJIYLGWGVZJQ-UHFFFAOYSA-N |
| MDL Number | MFCD17267704 |
| Molecular Formula | C7H5BrN2O |
| Molecular Weight | 213.0314 |
| SMILES | c1cc2c(c(c1)Br)[nH]c(=O)[nH]2 |
| Synonyms | 40644-16-4,
4-Bromo-1H-benzo[d]imidazol-2(3H)-one,
4-bromo-1,3-dihydro-benzoimidazol-2-one,
4-Bromo-1,3-dihydro-2H-Benzimidazol-2-one,
SCHEMBL1016001,
MRCJIYLGWGVZJQ-UHFFFAOYSA-N,
4-Bromo-2-hydroxy-1H-benzimidazole,
MFCD17267704,
ZINC57348356,
AKOS023784825,
AKOS024015681,
4-bromo-1,3-dihydrobenzimidazol-2-one,
DS-18886,
AX8276880,
2H-Benzimidazol-2-one, 4-bromo-1,3-dihydro-,
23806-24-8,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.959g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.034g/mol |
| Monoisotopic Mass | 211.959g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number