1H-Pyrazole-4-carboxylic acid, 5-chloro-1,3-dimethyl-


Chemical Name: 1H-Pyrazole-4-carboxylic acid, 5-chloro-1,3-dimethyl-
CAS Number: 27006-82-2
Product Number: AG00BFFV(AGN-PC-0KKZQ1)
Synonyms:
MDL No:
Molecular Formula: C6H7ClN2O2
Molecular Weight: 174.5850

Identification/Properties


Properties
BP:
316.1°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
174.584g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
174.02g/mol
Monoisotopic Mass:
174.02g/mol
Topological Polar Surface Area:
55.1A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
176
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-P280-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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