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Home > Fluorides > 1217601-63-2
1217601-63-2 | D-Phenylalanine, 2,4,5-trifluoro-
CAS No: 1217601-63-2 Catalog No: AG0015TS MDL No:MFCD06659102
Product Description
Catalog Number:
AG0015TS
Chemical Name:
D-Phenylalanine, 2,4,5-trifluoro-
CAS Number:
1217601-63-2
Molecular Formula:
C9H8F3NO2
Molecular Weight:
219.1605
MDL Number:
MFCD06659102
IUPAC Name:
(2R)-2-amino-3-(2,4,5-trifluorophenyl)propanoic acid
InChI:
InChI=1S/C9H8F3NO2/c10-5-3-7(12)6(11)1-4(5)2-8(13)9(14)15/h1,3,8H,2,13H2,(H,14,15)/t8-/m1/s1
InChI Key:
SWJFYJHCOWRRLR-MRVPVSSYSA-N
SMILES:
N[C@@H](C(=O)O)Cc1cc(F)c(cc1F)F
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
219.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.163g/mol
Monoisotopic Mass:
219.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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