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128404-37-5 | Benzenemethanamine, α-(trifluoromethyl)-, hydrochloride (1:1), (αS)-
CAS No: 128404-37-5 Catalog No: AG000Y1X MDL No:MFCD07776797
Product Description
Catalog Number:
AG000Y1X
Chemical Name:
Benzenemethanamine, α-(trifluoromethyl)-, hydrochloride (1:1), (αS)-
CAS Number:
128404-37-5
Molecular Formula:
C8H9ClF3N
Molecular Weight:
211.6120
MDL Number:
MFCD07776797
IUPAC Name:
(1S)-2,2,2-trifluoro-1-phenylethanamine;hydrochloride
InChI:
InChI=1S/C8H8F3N.ClH/c9-8(10,11)7(12)6-4-2-1-3-5-6;/h1-5,7H,12H2;1H/t7-;/m0./s1
InChI Key:
LCQGOISHUDYBOS-FJXQXJEOSA-N
SMILES:
N[C@H](C(F)(F)F)c1ccccc1.Cl
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
211.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.612g/mol
Monoisotopic Mass:
211.038g/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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