| CAS Number | 1212376-96-9 |
| Catalog Number | AG009Z85(AGN-PC-0WAMIV) |
| Chemical Name | (alphaS)-3-BroMo-4-fluoro-alpha-MethylbenzeneMethanaMine |
| IUPAC Name | (1S)-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/t5-;/m0./s1 |
| InChI Key | XPCQHDRARULRNJ-JEDNCBNOSA-N |
| MDL Number | MFCD06761803 |
| Molecular Formula | C8H10BrClFN |
| Molecular Weight | 254.5271 |
| SMILES | C[C@H](N)C1=CC=C(F)C(Br)=C1.[H]Cl |
| Synonyms | 1212376-96-9,
(S)-1-(3-Bromo-4-fluorophenyl)ethanamine hydrochloride,
(AlphaS)-3-bromo-4-fluoro-alpha-methylbenzenemethanamine,
AK338978,
(1S)-1-(3-bromo-4-fluorophenyl)ethan-1-amine hydrochloride,
KS-000026CW,
MFCD24426771,
AKOS027337378,
GS-7106,
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| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H332-H335
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Packing Group
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Precautionary statements
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P280-P305+P351+P338-P310
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UN Code
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Certificate of Analysis
Lot Number