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Home > Fluorides > 119022-51-4
119022-51-4 | 3H-Pyrazol-3-one, 1,2-dihydro-1-methyl-5-(trifluoromethyl)-
CAS No: 119022-51-4 Catalog No: AG000P2P MDL No:MFCD11226502
Product Description
Catalog Number:
AG000P2P
Chemical Name:
3H-Pyrazol-3-one, 1,2-dihydro-1-methyl-5-(trifluoromethyl)-
CAS Number:
119022-51-4
Molecular Formula:
C5H5F3N2O
Molecular Weight:
166.1012
MDL Number:
MFCD11226502
IUPAC Name:
2-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one
InChI:
InChI=1S/C5H5F3N2O/c1-10-3(5(6,7)8)2-4(11)9-10/h2H,1H3,(H,9,11)
InChI Key:
QEHXHKNBIGEWIH-UHFFFAOYSA-N
SMILES:
FC(c1cc(=O)[nH]n1C)(F)F
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.035g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.103g/mol
Monoisotopic Mass:
166.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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