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288251-60-5 | 1H-Pyrazole-4-carboxylic acid, 1-(2,2,2-trifluoroethyl)-
CAS No: 288251-60-5 Catalog No: AG002WO1 MDL No:MFCD08556229
Product Description
Catalog Number:
AG002WO1
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 1-(2,2,2-trifluoroethyl)-
CAS Number:
288251-60-5
Molecular Formula:
C6H5F3N2O2
Molecular Weight:
194.1113
MDL Number:
MFCD08556229
IUPAC Name:
1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C6H5F3N2O2/c7-6(8,9)3-11-2-4(1-10-11)5(12)13/h1-2H,3H2,(H,12,13)
InChI Key:
VPAMEBUGVMETCV-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnn(c1)CC(F)(F)F
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.03g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.113g/mol
Monoisotopic Mass:
194.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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