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827029-20-9 | Propanoic acid, 3-oxo-3-[[4-(trifluoromethyl)phenyl]amino]-
CAS No: 827029-20-9 Catalog No: AG0051O0 MDL No:
Product Description
Catalog Number:
AG0051O0
Chemical Name:
Propanoic acid, 3-oxo-3-[[4-(trifluoromethyl)phenyl]amino]-
CAS Number:
827029-20-9
Molecular Formula:
C10H8F3NO3
Molecular Weight:
247.1706
IUPAC Name:
3-oxo-3-[4-(trifluoromethyl)anilino]propanoic acid
InChI:
InChI=1S/C10H8F3NO3/c11-10(12,13)6-1-3-7(4-2-6)14-8(15)5-9(16)17/h1-4H,5H2,(H,14,15)(H,16,17)
InChI Key:
YYZDPRSUYSKOLW-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)C(F)(F)F)CC(=O)O
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.046g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.173g/mol
Monoisotopic Mass:
247.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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