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Home > Fluorides > 129476-61-5
129476-61-5 | Acetamide, N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-2,2,2-trifluoro-
CAS No: 129476-61-5 Catalog No: AG000Z5M MDL No:MFCD00574858
Product Description
Catalog Number:
AG000Z5M
Chemical Name:
Acetamide, N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-2,2,2-trifluoro-
CAS Number:
129476-61-5
Molecular Formula:
C13H12F3N3O2
Molecular Weight:
299.2485
MDL Number:
MFCD00574858
IUPAC Name:
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,2,2-trifluoroacetamide
InChI:
InChI=1S/C13H12F3N3O2/c1-8-10(17-12(21)13(14,15)16)11(20)19(18(8)2)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,17,21)
InChI Key:
BRDJQRIUIQTCSY-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)Nc1c(C)n(n(c1=O)c1ccccc1)C
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.088g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.253g/mol
Monoisotopic Mass:
299.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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