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


Chemical Name: 1H-Pyrazole-5-carboxylic acid, 3-chloro-1-methyl-, methyl ester
CAS Number: 173841-06-0
Product Number: AG001Z8D(AGN-PC-0HAMIR)
Synonyms:
MDL No:
Molecular Formula: C6H7ClN2O2
Molecular Weight: 174.5850

Identification/Properties


Computed Properties
Molecular Weight:
174.584g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
174.02g/mol
Monoisotopic Mass:
174.02g/mol
Topological Polar Surface Area:
44.1A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
165
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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