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119009-47-1 | L-Phenylalanine, 2-(trifluoromethyl)-
CAS No: 119009-47-1 Catalog No: AG000P24 MDL No:MFCD00077615
Product Description
Catalog Number:
AG000P24
Chemical Name:
L-Phenylalanine, 2-(trifluoromethyl)-
CAS Number:
119009-47-1
Molecular Formula:
C10H10F3NO2
Molecular Weight:
233.1871
MDL Number:
MFCD00077615
IUPAC Name:
(2S)-2-amino-3-[2-(trifluoromethyl)phenyl]propanoic acid
InChI:
InChI=1S/C10H10F3NO2/c11-10(12,13)7-4-2-1-3-6(7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m0/s1
InChI Key:
IOABLDGLYOGEHY-QMMMGPOBSA-N
SMILES:
OC(=O)[C@H](Cc1ccccc1C(F)(F)F)N
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
233.066g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.19g/mol
Monoisotopic Mass:
233.066g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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