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114872-99-0 | D-Phenylalanine, 4-(trifluoromethyl)-
CAS No: 114872-99-0 Catalog No: AG000FE2 MDL No:MFCD01860876
Product Description
Catalog Number:
AG000FE2
Chemical Name:
D-Phenylalanine, 4-(trifluoromethyl)-
CAS Number:
114872-99-0
Molecular Formula:
C10H10F3NO2
Molecular Weight:
233.1871
MDL Number:
MFCD01860876
IUPAC Name:
(2R)-2-amino-3-[4-(trifluoromethyl)phenyl]propanoic acid
InChI:
InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m1/s1
InChI Key:
CRFFPDBJLGAGQL-MRVPVSSYSA-N
SMILES:
N[C@@H](C(=O)O)Cc1ccc(cc1)C(F)(F)F
Properties
Complexity:
247
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:
-0.6
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