| CAS Number | 1423025-45-9 |
| Catalog Number | AG01A1G7 |
| Chemical Name | 2-(2-Bromo-5-chlorophenyl)ethan-1-amine hydrochloride |
| IUPAC Name | 2-(2-bromo-5-chlorophenyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C8H9BrClN.ClH/c9-8-2-1-7(10)5-6(8)3-4-11;/h1-2,5H,3-4,11H2;1H |
| InChI Key | PXDTVVAKCHQPID-UHFFFAOYSA-N |
| MDL Number | MFCD22421830 |
| Molecular Formula | C8H10BrCl2N |
| Molecular Weight | 270.9817 |
| SMILES | Cl.NCCC1=C(Br)C=CC(Cl)=C1 |
| Synonyms | 2-(2-bromo-5-chlorophenyl)ethan-1-amine hydrochloride,
1423025-45-9,
SCHEMBL18524119,
AKOS016938343,
MCULE-5052511433,
NE17296,
Z1474026680,
|
| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.937g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.979g/mol |
| Monoisotopic Mass | 268.937g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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