| CAS Number | 1691144-33-8 |
| Catalog Number | AG01B7ND(AGN-PC-0WOVB7) |
| Chemical Name | 4-bromo-3-chloro-N-[(1H-imidazol-2-yl)methyl]aniline |
| IUPAC Name | 4-bromo-3-chloro-N-(1H-imidazol-2-ylmethyl)aniline |
| InChI | InChI=1S/C10H9BrClN3/c11-8-2-1-7(5-9(8)12)15-6-10-13-3-4-14-10/h1-5,15H,6H2,(H,13,14) |
| InChI Key | VWEFKJIXZSFBPM-UHFFFAOYSA-N |
| MDL Number | MFCD28145507 |
| Molecular Formula | C10H9BrClN3 |
| Molecular Weight | 286.5556 |
| SMILES | ClC1=C(Br)C=CC(NCC2NC=CN=2)=C1 |
| Synonyms | 4-bromo-3-chloro-N-(1H-imidazol-2-ylmethyl)aniline,
1691144-33-8,
AKOS026744387,
ZINC193641407,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.967g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.557g/mol |
| Monoisotopic Mass | 284.967g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number