| CAS Number | 1235439-66-3 |
| Catalog Number | AG01A8HK |
| Chemical Name | [(5-bromo-2-fluorophenyl)methyl](ethyl)amine hydrochloride |
| IUPAC Name | N-[(5-bromo-2-fluorophenyl)methyl]ethanamine;hydrochloride |
| InChI | InChI=1S/C9H11BrFN.ClH/c1-2-12-6-7-5-8(10)3-4-9(7)11;/h3-5,12H,2,6H2,1H3;1H |
| InChI Key | CRLDTPMKPCESLD-UHFFFAOYSA-N |
| MDL Number | MFCD16040060 |
| Molecular Formula | C9H12BrClFN |
| Molecular Weight | 268.5537 |
| SMILES | Cl.CCNCC1=C(F)C=CC(Br)=C1 |
| Synonyms | [(5-bromo-2-fluorophenyl)methyl](ethyl)amine hydrochloride,
1235439-66-3,
AC1Q39VE,
MCULE-7020673523,
NE19236,
EN300-61629,
Z1262250892,
|
| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.983g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.554g/mol |
| Monoisotopic Mass | 266.983g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
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