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128564-57-8 | 1H-Pyrazole-4-carbonyl chloride, 5-chloro-1-methyl-3-(trifluoromethyl)-
CAS No: 128564-57-8 Catalog No: AG000Y6M MDL No:MFCD04115396
Product Description
Catalog Number:
AG000Y6M
Chemical Name:
1H-Pyrazole-4-carbonyl chloride, 5-chloro-1-methyl-3-(trifluoromethyl)-
CAS Number:
128564-57-8
Molecular Formula:
C6H3Cl2F3N2O
Molecular Weight:
247.0020
MDL Number:
MFCD04115396
IUPAC Name:
5-chloro-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl chloride
InChI:
InChI=1S/C6H3Cl2F3N2O/c1-13-4(7)2(5(8)14)3(12-13)6(9,10)11/h1H3
InChI Key:
YGIMKPAWLFTFLV-UHFFFAOYSA-N
SMILES:
ClC(=O)c1c(Cl)n(nc1C(F)(F)F)C
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.957g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.998g/mol
Monoisotopic Mass:
245.957g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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