1H-Pyrazole-3-carboxylic acid, 4-chloro-1-methyl-


Chemical Name: 1H-Pyrazole-3-carboxylic acid, 4-chloro-1-methyl-
CAS Number: 84547-85-3
Product Number: AG008HN3(AGN-PC-0JTHB7)
Synonyms:
MDL No:
Molecular Formula: C5H5ClN2O2
Molecular Weight: 160.5584

Identification/Properties


Computed Properties
Molecular Weight:
160.557g/mol
XLogP3:
0.7
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

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
1759
Hazard Statements:
H314
Precautionary Statements:
P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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