| CAS Number | 1958125-87-5 |
| Catalog Number | AG01DU4V |
| Chemical Name | (1S)-1-(3-BROMO-4-FLUOROPHENYL)ETHAN-1-AMINE HYDROCHLORIDE |
| IUPAC Name | 1-(3-bromo-4-fluorophenyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C8H9BrFN.ClH/c1-5(11)6-2-3-8(10)7(9)4-6;/h2-5H,11H2,1H3;1H |
| InChI Key | XPCQHDRARULRNJ-UHFFFAOYSA-N |
| MDL Number | MFCD24426771 |
| Molecular Formula | C8H10BrClFN |
| Molecular Weight | 254.5271 |
| SMILES | C[C@@H](C1=CC=C(F)C(Br)=C1)N.[H]Cl |
| Synonyms | (S)-1-(3-Bromo-4-fluorophenyl)ethanamine hydrochloride,
1305712-20-2,
AK338978,
(1S)-1-(3-bromo-4-fluorophenyl)ethanamine;hydrochloride,
1958125-87-5,
(1R)-1-(3-bromo-4-fluorophenyl)ethan-1-amine hydrochloride,
1212376-96-9,
(1S)-1-(3-bromo-4-fluorophenyl)ethan-1-amine hydrochloride,
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| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.967g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.527g/mol |
| Monoisotopic Mass | 252.967g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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