1H-Pyrazole-4-carboxylic acid, 5-chloro-1-methyl-, ethyl ester


Chemical Name: 1H-Pyrazole-4-carboxylic acid, 5-chloro-1-methyl-, ethyl ester
CAS Number: 56984-32-8
Product Number: AG00E9CL(AGN-PC-0KKMSB)
Synonyms:
MDL No:
Molecular Formula: C7H9ClN2O2
Molecular Weight: 188.6116

Identification/Properties


Properties
BP:
268.4°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
188.611g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
188.035g/mol
Monoisotopic Mass:
188.035g/mol
Topological Polar Surface Area:
44.1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
177
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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