2-chloro-5-(3,5-dimethyl-1H-pyrazol-1-yl)benzoic acid


Chemical Name: 2-chloro-5-(3,5-dimethyl-1H-pyrazol-1-yl)benzoic acid
CAS Number: 401827-60-9
Product Number: AG00BZZB(AGN-PC-0WAKAI)
Synonyms:
MDL No:
Molecular Formula:
Molecular Weight:

Identification/Properties


Computed Properties
Molecular Weight:
250.682g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
250.051g/mol
Monoisotopic Mass:
250.051g/mol
Topological Polar Surface Area:
55.1A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
300
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

Safety Information


NMR Spectrum


Other Analytical Data


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