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Home > Fluorides > 129922-58-3
129922-58-3 | 1H-Pyrazol-5-ol, 3-(difluoromethyl)-1-methyl-
CAS No: 129922-58-3 Catalog No: AG000TSE MDL No:MFCD16619807
Product Description
Catalog Number:
AG000TSE
Chemical Name:
1H-Pyrazol-5-ol, 3-(difluoromethyl)-1-methyl-
CAS Number:
129922-58-3
Molecular Formula:
C5H6F2N2O
Molecular Weight:
148.1107
MDL Number:
MFCD16619807
IUPAC Name:
5-(difluoromethyl)-2-methyl-1H-pyrazol-3-one
InChI:
InChI=1S/C5H6F2N2O/c1-9-4(10)2-3(8-9)5(6)7/h2,5,8H,1H3
InChI Key:
VEIPKLIIXBPVCG-UHFFFAOYSA-N
SMILES:
FC(c1cc(n(n1)C)O)F
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.045g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
148.113g/mol
Monoisotopic Mass:
148.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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