| CAS Number | 944131-95-7 |
| Catalog Number | AG019WPH |
| Chemical Name | 4-Bromo-2-chloro-N-methylaniline |
| IUPAC Name | 4-bromo-2-chloro-N-methylaniline |
| InChI | InChI=1S/C7H7BrClN/c1-10-7-3-2-5(8)4-6(7)9/h2-4,10H,1H3 |
| InChI Key | KUCFYEZROWEIIR-UHFFFAOYSA-N |
| MDL Number | MFCD09745401 |
| Molecular Formula | C7H7BrClN |
| Molecular Weight | 220.4942 |
| SMILES | CNC1=CC=C(Br)C=C1Cl |
| Synonyms | 4-bromo-2-chloro-N-methylaniline,
944131-95-7,
AC1Q40VY,
SCHEMBL12883444,
CTK6I4857,
MFCD09745401,
ZINC36533361,
AKOS008065187,
MCULE-7630609946,
NE33581,
EN300-52739,
(4-bromo-2-chlorophenyl)methanamine,
Benzenamine, 4-bromo-2-chloro-N-methyl,
|
| 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 | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number