| CAS Number | 1240593-33-2 |
| Catalog Number | AG00HHIZ(AGN-PC-0WAZET) |
| Chemical Name | 4-Bromo-1-methyl-1H-benzo[d]imidazol-2(3H)-one |
| IUPAC Name | 7-bromo-3-methyl-1H-benzimidazol-2-one |
| InChI | InChI=1S/C8H7BrN2O/c1-11-6-4-2-3-5(9)7(6)10-8(11)12/h2-4H,1H3,(H,10,12) |
| InChI Key | DVOMWEVMRSPXIN-UHFFFAOYSA-N |
| MDL Number | MFCD22397063 |
| Molecular Formula | C8H7BrN2O |
| Molecular Weight | 227.0580 |
| SMILES | BrC1=CC=CC=2N(C(NC21)=O)C |
| Synonyms | 1240593-33-2,
4-bromo-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-one,
4-Bromo-1-methyl-1H-benzo[d]imidazol-2(3H)-one,
SCHEMBL7884503,
KS-000024XR,
ZINC95631116,
AKOS023787002,
AKOS024258563,
EK-0706,
FCH1636269,
OR311049,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.061g/mol |
| Monoisotopic Mass | 225.974g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number