Home Carbonyls 1-Methyl-1H-pyrazole-4-carbonyl chloride

1-Methyl-1H-pyrazole-4-carbonyl chloride

CAS No.:
79583-19-0
Catalog Number:
AG008LWB
Molecular Formula:
C5H5ClN2O
Molecular Weight:
144.5590
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Product Description
Catalog Number:
AG008LWB
Chemical Name:
1-Methyl-1H-pyrazole-4-carbonyl chloride
CAS Number:
79583-19-0
Molecular Formula:
C5H5ClN2O
Molecular Weight:
144.5590
MDL Number:
MFCD03421496
IUPAC Name:
1-methylpyrazole-4-carbonyl chloride
InChI:
InChI=1S/C5H5ClN2O/c1-8-3-4(2-7-8)5(6)9/h2-3H,1H3
InChI Key:
QLBBQLJPRXPVOS-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1)C(=O)Cl
Properties
Complexity:
128  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.009g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.558g/mol
Monoisotopic Mass:
144.009g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties