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122431-38-3 | 1H-Pyrazol-5-ol, 1-(4-chlorophenyl)-3-(trifluoromethyl)-
CAS No: 122431-38-3 Catalog No: AG001781 MDL No:
Product Description
Catalog Number:
AG001781
Chemical Name:
1H-Pyrazol-5-ol, 1-(4-chlorophenyl)-3-(trifluoromethyl)-
CAS Number:
122431-38-3
Molecular Formula:
C10H6ClF3N2O
Molecular Weight:
262.6156
IUPAC Name:
2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one
InChI:
InChI=1S/C10H6ClF3N2O/c11-6-1-3-7(4-2-6)16-9(17)5-8(15-16)10(12,13)14/h1-5,15H
InChI Key:
RJAVFPJSNYFSKY-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)n1nc(cc1O)C(F)(F)F
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.012g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.616g/mol
Monoisotopic Mass:
262.012g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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