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31105-90-5 | L-Phenylalanine, 3,4-difluoro-
CAS No: 31105-90-5 Catalog No: AG00324A MDL No:MFCD01075125
Product Description
Catalog Number:
AG00324A
Chemical Name:
L-Phenylalanine, 3,4-difluoro-
CAS Number:
31105-90-5
Molecular Formula:
C9H9F2NO2
Molecular Weight:
201.1701
MDL Number:
MFCD01075125
IUPAC Name:
(2S)-2-amino-3-(3,4-difluorophenyl)propanoic acid
InChI:
InChI=1S/C9H9F2NO2/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)/t8-/m0/s1
InChI Key:
PRAWYXDDKCVZTL-QMMMGPOBSA-N
SMILES:
OC(=O)[C@H](Cc1ccc(c(c1)F)F)N
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
201.06g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
201.173g/mol
Monoisotopic Mass:
201.06g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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