| CAS Number | 1157720-01-8 |
| Catalog Number | AG01BDDZ |
| Chemical Name | [(4-bromo-2-chlorophenyl)methyl](methyl)amine |
| IUPAC Name | 1-(4-bromo-2-chlorophenyl)-N-methylmethanamine |
| InChI | InChI=1S/C8H9BrClN/c1-11-5-6-2-3-7(9)4-8(6)10/h2-4,11H,5H2,1H3 |
| InChI Key | ADKPEERULMOOKJ-UHFFFAOYSA-N |
| MDL Number | MFCD12065509 |
| Molecular Formula | C8H9BrClN |
| Molecular Weight | 234.5208 |
| SMILES | CNCC1=C(Cl)C=C(Br)C=C1 |
| Synonyms | [(4-bromo-2-chlorophenyl)methyl](methyl)amine,
1157720-01-8,
SCHEMBL4035878,
ZINC37366874,
AKOS009990521,
NE41519,
|
| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.961g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.521g/mol |
| Monoisotopic Mass | 232.961g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number