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


Chemical Name: 1H-Pyrazole-3-carboxylic acid, 5-chloro-
CAS Number: 881668-70-8
Product Number: AG003498(AGN-PC-079GVC)
Synonyms:
MDL No: MFCD09608056
Molecular Formula: C4H3ClN2O2
Molecular Weight: 146.5318

Identification/Properties


Properties
BP:
445.6°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
146.53g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
145.988g/mol
Monoisotopic Mass:
145.988g/mol
Topological Polar Surface Area:
66A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
130
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:
H302-H315-H319-H332-H335
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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