1H-Pyrazole-5-carboxylic acid, 3-chloro-1-methyl-


Chemical Name: 1H-Pyrazole-5-carboxylic acid, 3-chloro-1-methyl-
CAS Number: 173841-02-6
Product Number: AG001Z8E(AGN-PC-023B6V)
Synonyms:
MDL No:
Molecular Formula: C5H5ClN2O2
Molecular Weight: 160.5584

Identification/Properties


Computed Properties
Molecular Weight:
160.557g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
160.004g/mol
Monoisotopic Mass:
160.004g/mol
Topological Polar Surface Area:
55.1A^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


Other Analytical Data


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