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144789-75-3 | Benzeneacetic acid, α-amino-4-(trifluoromethyl)-, (αS)-
CAS No: 144789-75-3 Catalog No: AG001K5P MDL No:MFCD00236329
Product Description
Catalog Number:
AG001K5P
Chemical Name:
Benzeneacetic acid, α-amino-4-(trifluoromethyl)-, (αS)-
CAS Number:
144789-75-3
Molecular Formula:
C9H8F3NO2
Molecular Weight:
219.1605
MDL Number:
MFCD00236329
IUPAC Name:
(2S)-2-amino-2-[4-(trifluoromethyl)phenyl]acetic acid
InChI:
InChI=1S/C9H8F3NO2/c10-9(11,12)6-3-1-5(2-4-6)7(13)8(14)15/h1-4,7H,13H2,(H,14,15)/t7-/m0/s1
InChI Key:
FANMQHUKZBBELZ-ZETCQYMHSA-N
SMILES:
N[C@@H](c1ccc(cc1)C(F)(F)F)C(=O)O
Properties
Complexity:
234
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:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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