| CAS Number | 1368759-44-7 |
| Catalog Number | AG01AUBG |
| Chemical Name | 5-bromo-1-cyclopropyl-1,3-benzodiazole |
| IUPAC Name | 5-bromo-1-cyclopropylbenzimidazole |
| InChI | InChI=1S/C10H9BrN2/c11-7-1-4-10-9(5-7)12-6-13(10)8-2-3-8/h1,4-6,8H,2-3H2 |
| InChI Key | HNEGNHWSDNVYIO-UHFFFAOYSA-N |
| MDL Number | MFCD21991024 |
| Molecular Formula | C10H9BrN2 |
| Molecular Weight | 237.0959 |
| SMILES | BrC1=CC2=C(N(C3CC3)C=N2)C=C1 |
| Synonyms | 5-bromo-1-cyclopropyl-1H-1,3-benzodiazole,
1368759-44-7,
SCHEMBL15205213,
HNEGNHWSDNVYIO-UHFFFAOYSA-N,
ZINC82607427,
AKOS022801663,
5-bromo-1-cyclopropyl-1H-benzimidazole,
Z2235330302,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.1g/mol |
| Monoisotopic Mass | 235.995g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number