1H-Pyrazole-4-carbonyl chloride, 5-chloro-1-methyl-


Chemical Name: 1H-Pyrazole-4-carbonyl chloride, 5-chloro-1-methyl-
CAS Number: 110763-09-2
Product Number: AG007C7J(AGN-PC-0KK7C6)
Synonyms:
MDL No:
Molecular Formula: C5H4Cl2N2O
Molecular Weight: 179.0041

Identification/Properties


Computed Properties
Molecular Weight:
179g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
177.97g/mol
Monoisotopic Mass:
177.97g/mol
Topological Polar Surface Area:
34.9A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
153
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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