| CAS Number | 942400-60-4 |
| Catalog Number | AG00IHZX(AGN-PC-0WRACG) |
| Chemical Name | (2-bromo-5-chlorophenyl)methanamine |
| IUPAC Name | (2-bromo-5-chlorophenyl)methanamine |
| InChI | InChI=1S/C7H7BrClN/c8-7-2-1-6(9)3-5(7)4-10/h1-3H,4,10H2 |
| InChI Key | UCLVFGCUXVRRJD-UHFFFAOYSA-N |
| MDL Number | MFCD12964237 |
| Molecular Formula | C7H7BrClN |
| Molecular Weight | 220.4942 |
| SMILES | NCC1=C(Br)C=CC(Cl)=C1 |
| Synonyms | (2-bromo-5-chlorophenyl)methanamine,
942400-60-4,
2-Bromo-5-chlorobenzylamine,
SCHEMBL1196832,
ZINC83350881,
AKOS015152366,
ACN-049437,
SC-36691,
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| 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 |
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Certificate of Analysis
Lot Number