| CAS Number | 1183092-85-4 |
| Catalog Number | AG019TZL |
| Chemical Name | 5-(6-bromo-1H-1,3-benzodiazol-2-yl)-2-chloroaniline |
| IUPAC Name | 5-(6-bromo-1H-benzimidazol-2-yl)-2-chloroaniline |
| InChI | InChI=1S/C13H9BrClN3/c14-8-2-4-11-12(6-8)18-13(17-11)7-1-3-9(15)10(16)5-7/h1-6H,16H2,(H,17,18) |
| InChI Key | QJGXAKBXSJVXDR-UHFFFAOYSA-N |
| MDL Number | MFCD12720929 |
| Molecular Formula | C13H9BrClN3 |
| Molecular Weight | 322.5877 |
| SMILES | NC1=C(Cl)C=CC(C2NC3=C(C=CC(=C3)Br)N=2)=C1 |
| Synonyms | 5-(6-bromo-1H-1,3-benzodiazol-2-yl)-2-chloroaniline,
1183092-85-4,
ZINC37441142,
MCULE-1085142982,
NE35269,
5-(5-bromo-1H-1,3-benzodiazol-2-yl)-2-chloroaniline,
Z1335657680,
|
| Complexity | 304 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 320.967g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 322.59g/mol |
| Monoisotopic Mass | 320.967g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number