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231947-19-6 | 1H-Pyrazole, 1-benzoyl-3(or 5)-methyl-5(or 3)-(trifluoromethyl)- (9CI)
CAS No: 231947-19-6 Catalog No: AG002MHG MDL No:MFCD00153650
Product Description
Catalog Number:
AG002MHG
Chemical Name:
1H-Pyrazole, 1-benzoyl-3(or 5)-methyl-5(or 3)-(trifluoromethyl)- (9CI)
CAS Number:
231947-19-6
MDL Number:
MFCD00153650
IUPAC Name:
[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-phenylmethanone
InChI:
InChI=1S/C12H9F3N2O/c1-8-7-10(12(13,14)15)16-17(8)11(18)9-5-3-2-4-6-9/h2-7H,1H3
InChI Key:
KOYQRASDYYHQSU-UHFFFAOYSA-N
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.212g/mol
Monoisotopic Mass:
254.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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