Home Carbonyls 1-ethyl-5-methyl-1H-pyrazole-4-carbonyl chloride

1-ethyl-5-methyl-1H-pyrazole-4-carbonyl chloride

CAS No.:
1172423-27-6
Catalog Number:
AG0090PM
Molecular Formula:
C7H9ClN2O
Molecular Weight:
172.6122
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Product Description
Catalog Number:
AG0090PM
Chemical Name:
1-ethyl-5-methyl-1H-pyrazole-4-carbonyl chloride
CAS Number:
1172423-27-6
Molecular Formula:
C7H9ClN2O
Molecular Weight:
172.6122
MDL Number:
MFCD03421498
IUPAC Name:
1-ethyl-5-methylpyrazole-4-carbonyl chloride
InChI:
InChI=1S/C7H9ClN2O/c1-3-10-5(2)6(4-9-10)7(8)11/h4H,3H2,1-2H3
InChI Key:
JXZDLGFZEAKOGB-UHFFFAOYSA-N
SMILES:
Cc1c(cnn1CC)C(=O)Cl
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.04g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.612g/mol
Monoisotopic Mass:
172.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties