| CAS Number | 519042-70-7 |
| Catalog Number | AG019TQT(AGN-PC-0OBLTZ) |
| Chemical Name | 4-(6-Bromo-1H-benzo[d]imidazol-2-yl)aniline |
| IUPAC Name | 4-(6-bromo-1H-benzimidazol-2-yl)aniline |
| InChI | InChI=1S/C13H10BrN3/c14-9-3-6-11-12(7-9)17-13(16-11)8-1-4-10(15)5-2-8/h1-7H,15H2,(H,16,17) |
| InChI Key | BEIVSSVOAYGNSA-UHFFFAOYSA-N |
| MDL Number | MFCD12517424 |
| Molecular Formula | C13H10BrN3 |
| Molecular Weight | 288.1426 |
| SMILES | NC1=CC=C(C2NC3=C(C=C(C=C3)Br)N=2)C=C1 |
| Synonyms | 519042-70-7,
4-(5-bromo-1H-1,3-benzodiazol-2-yl)aniline,
4-(5-Bromo-1H-benzoimidazol-2-yl)-phenylamine,
4-(6-Bromo-1H-benzo[d]imidazol-2-yl)aniline,
AC1NMJ73,
SCHEMBL6260769,
CTK7D7309,
ZINC4243985,
AKOS003298220,
AKOS005912730,
MCULE-3487299413,
NE31790,
AJ-49599,
4-(6-bromo-1H-benzimidazol-2-yl)aniline,
4-(6-bromo-1h-benzo[d]imidazol-2-yl)benzenamine,
4-(5-Bromo-1 H -benzoimidazol-2-yl)-phenylamine,
Z1342208390,
CID5010856,
4-(6-bromo-1H-benzoimidazol-2-yl)aniline,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.148g/mol |
| Monoisotopic Mass | 287.006g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number