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128141-47-9 | 1H-Pyrazole-5-carbonyl chloride, 4-chloro-1,3-dimethyl-
CAS No: 128141-47-9 Catalog No: AG000XTU MDL No:
Product Description
Catalog Number:
AG000XTU
Chemical Name:
1H-Pyrazole-5-carbonyl chloride, 4-chloro-1,3-dimethyl-
CAS Number:
128141-47-9
Molecular Formula:
C6H6Cl2N2O
Molecular Weight:
193.0306
IUPAC Name:
4-chloro-2,5-dimethylpyrazole-3-carbonyl chloride
InChI:
InChI=1S/C6H6Cl2N2O/c1-3-4(7)5(6(8)11)10(2)9-3/h1-2H3
InChI Key:
BXRFTMCUMITBRU-UHFFFAOYSA-N
SMILES:
ClC(=O)c1n(C)nc(c1Cl)C
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.986g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.027g/mol
Monoisotopic Mass:
191.986g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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