| CAS Number | 1044256-91-8 |
| Catalog Number | AG0095TH |
| Chemical Name | 3-Bromo-2-chlorobenzenemethanamine |
| IUPAC Name | (3-bromo-2-chlorophenyl)methanamine |
| InChI | InChI=1S/C7H7BrClN/c8-6-3-1-2-5(4-10)7(6)9/h1-3H,4,10H2 |
| InChI Key | YHAIHXQAESJVGO-UHFFFAOYSA-N |
| MDL Number | MFCD18390314 |
| Molecular Formula | C7H7BrClN |
| Molecular Weight | 220.4942 |
| SMILES | NCC1=CC=CC(Br)=C1Cl |
| Synonyms | (3-bromo-2-chlorophenyl)methanamine,
1044256-91-8,
3-Bromo-2-chloro-benzenemethanamine,
3-Bromo-2-chlorobenzylamine,
SCHEMBL4698261,
YHAIHXQAESJVGO-UHFFFAOYSA-N,
ZINC84493796,
N/A,
164365-88-2,
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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
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