| CAS Number | 917388-35-3 |
| Catalog Number | AG00H50S |
| Chemical Name | 3-Bromo-5-chlorobenzenemethanamine |
| IUPAC Name | (3-bromo-5-chlorophenyl)methanamine |
| InChI | InChI=1S/C7H7BrClN/c8-6-1-5(4-10)2-7(9)3-6/h1-3H,4,10H2 |
| InChI Key | KHUHKVBBFRQHSO-UHFFFAOYSA-N |
| MDL Number | MFCD12546106 |
| Molecular Formula | C7H7BrClN |
| Molecular Weight | 220.4942 |
| SMILES | NCC1=CC(Cl)=CC(Br)=C1 |
| Synonyms | (3-BROMO-5-CHLOROPHENYL)METHANAMINE,
917388-35-3,
3-Bromo-5-chlorobenzylamine,
3-BROMO-5-CHLOROBENZENEMETHANAMINE,
SCHEMBL1363469,
KHUHKVBBFRQHSO-UHFFFAOYSA-N,
ZINC83350882,
AKOS022993907,
[(3-Bromo-5-chlorophenyl)methyl]amine,
AB65611,
Benzenemethanamine, 3-bromo-5-chloro-,
SC-52080,
FT-0714458,
1187928-79-5,
|
| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.945g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.494g/mol |
| Monoisotopic Mass | 218.945g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number