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249648-08-6 | D-Phenylalanine, 3,4-difluoro-
CAS No: 249648-08-6 Catalog No: AG002Q0H MDL No:MFCD01631986
Product Description
Catalog Number:
AG002Q0H
Chemical Name:
D-Phenylalanine, 3,4-difluoro-
CAS Number:
249648-08-6
Molecular Formula:
C9H9F2NO2
Molecular Weight:
201.1701
MDL Number:
MFCD01631986
IUPAC Name:
(2R)-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-/m1/s1
InChI Key:
PRAWYXDDKCVZTL-MRVPVSSYSA-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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