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Home > Fluorides > 129768-24-7
129768-24-7 | 1H-Pyrazole-5-carbonyl chloride, 1-methyl-3-(trifluoromethyl)-
CAS No: 129768-24-7 Catalog No: AG000TOP MDL No:MFCD03421457
Product Description
Catalog Number:
AG000TOP
Chemical Name:
1H-Pyrazole-5-carbonyl chloride, 1-methyl-3-(trifluoromethyl)-
CAS Number:
129768-24-7
Molecular Formula:
C6H4ClF3N2O
Molecular Weight:
212.5570
MDL Number:
MFCD03421457
IUPAC Name:
2-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl chloride
InChI:
InChI=1S/C6H4ClF3N2O/c1-12-3(5(7)13)2-4(11-12)6(8,9)10/h2H,1H3
InChI Key:
PLGFQFMBCLCVRB-UHFFFAOYSA-N
SMILES:
ClC(=O)c1cc(nn1C)C(F)(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:
211.996g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.556g/mol
Monoisotopic Mass:
211.996g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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