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Home > Fluorides > 231947-22-1
231947-22-1 | 1H-Pyrazole, 1-acetyl-3(or 5)-phenyl-5(or 3)-(trifluoromethyl)- (9CI)
CAS No: 231947-22-1 Catalog No: AG002MHE MDL No:MFCD00153639
Product Description
Catalog Number:
AG002MHE
Chemical Name:
1H-Pyrazole, 1-acetyl-3(or 5)-phenyl-5(or 3)-(trifluoromethyl)- (9CI)
CAS Number:
231947-22-1
MDL Number:
MFCD00153639
IUPAC Name:
1-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
InChI:
InChI=1S/C12H9F3N2O/c1-8(18)17-10(9-5-3-2-4-6-9)7-11(16-17)12(13,14)15/h2-7H,1H3
InChI Key:
AQFXIWDRLHRFIC-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:
2.7
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