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Home > Fluorides > 873429-60-8
873429-60-8 | L-Phenylalanine,2,3,6-trifluoro-
CAS No: 873429-60-8 Catalog No: AG004HO0 MDL No:MFCD06657674
Product Description
Catalog Number:
AG004HO0
Chemical Name:
L-Phenylalanine,2,3,6-trifluoro-
CAS Number:
873429-60-8
Molecular Formula:
C9H8F3NO2
Molecular Weight:
219.1605
MDL Number:
MFCD06657674
IUPAC Name:
(2S)-2-amino-3-(2,3,6-trifluorophenyl)propanoic acid
InChI:
InChI=1S/C9H8F3NO2/c10-5-1-2-6(11)8(12)4(5)3-7(13)9(14)15/h1-2,7H,3,13H2,(H,14,15)/t7-/m0/s1
InChI Key:
DRQCAEOUDQSPEF-ZETCQYMHSA-N
SMILES:
N[C@H](C(=O)O)Cc1c(F)ccc(c1F)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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