2-chloro-5-pyrazol-1-yl-benzoic acid


Chemical Name: 2-chloro-5-pyrazol-1-yl-benzoic acid
CAS Number: 957509-90-9
Product Number: AG005YCG(AGN-PC-0WAKAG)
Synonyms:
MDL No:
Molecular Formula: C10H7ClN2O2
Molecular Weight: 222.6278

Identification/Properties


Properties
BP:
393.6±32.0°C
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
222.628g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
222.02g/mol
Monoisotopic Mass:
222.02g/mol
Topological Polar Surface Area:
55.1A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
250
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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