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129768-29-2 | 1H-Pyrazole-3-carbonyl chloride, 5-(trifluoromethyl)-
CAS No: 129768-29-2 Catalog No: AG000TON MDL No:
Product Description
Catalog Number:
AG000TON
Chemical Name:
1H-Pyrazole-3-carbonyl chloride, 5-(trifluoromethyl)-
CAS Number:
129768-29-2
Molecular Formula:
C5H2ClF3N2O
Molecular Weight:
198.5304
IUPAC Name:
5-(trifluoromethyl)-1H-pyrazole-3-carbonyl chloride
InChI:
InChI=1S/C5H2ClF3N2O/c6-4(12)2-1-3(11-10-2)5(7,8)9/h1H,(H,10,11)
InChI Key:
LQSQXCJJVUVZRA-UHFFFAOYSA-N
SMILES:
ClC(=O)c1n[nH]c(c1)C(F)(F)F
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.981g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.529g/mol
Monoisotopic Mass:
197.981g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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