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1391436-37-5 | Benzenemethanamine, 3-fluoro-α-(trifluoromethyl)-, hydrochloride (1:1), (αS)-
CAS No: 1391436-37-5 Catalog No: AG001ADN MDL No:MFCD12910556
Product Description
Catalog Number:
AG001ADN
Chemical Name:
Benzenemethanamine, 3-fluoro-α-(trifluoromethyl)-, hydrochloride (1:1), (αS)-
CAS Number:
1391436-37-5
Molecular Formula:
C8H8ClF4N
Molecular Weight:
229.6024
MDL Number:
MFCD12910556
IUPAC Name:
(1S)-2,2,2-trifluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
InChI:
InChI=1S/C8H7F4N.ClH/c9-6-3-1-2-5(4-6)7(13)8(10,11)12;/h1-4,7H,13H2;1H/t7-;/m0./s1
InChI Key:
XNWPGRAQALZJNF-FJXQXJEOSA-N
SMILES:
Fc1cccc(c1)[C@@H](C(F)(F)F)N.Cl
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
229.028g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.603g/mol
Monoisotopic Mass:
229.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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