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142012-65-5 | Benzeneacetic acid, α-amino-4-(trifluoromethyl)-
CAS No: 142012-65-5 Catalog No: AG001HJJ MDL No:MFCD00665333
Product Description
Catalog Number:
AG001HJJ
Chemical Name:
Benzeneacetic acid, α-amino-4-(trifluoromethyl)-
CAS Number:
142012-65-5
Molecular Formula:
C9H8F3NO2
Molecular Weight:
219.1605
MDL Number:
MFCD00665333
IUPAC Name:
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)
InChI Key:
FANMQHUKZBBELZ-UHFFFAOYSA-N
SMILES:
NC(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:
0
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
Literature
| Title | Journal |
|---|---|
| Structure-activity relationships of alpha-amino acid ligands for the alpha2delta subunit of voltage-gated calcium channels. | Bioorganic & medicinal chemistry letters 20060301 |
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