Benzoic acid, 4-(1H-pyrazol-3-yl)-


Chemical Name: Benzoic acid, 4-(1H-pyrazol-3-yl)-
CAS Number: 208511-67-5
Product Number: AG002JQ8(AGN-PC-0O7OGG)
Synonyms:
MDL No:
Molecular Formula: C10H8N2O2
Molecular Weight: 188.1827

Identification/Properties


Properties
BP:
469.6°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
188.186g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
188.059g/mol
Monoisotopic Mass:
188.059g/mol
Topological Polar Surface Area:
66A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
212
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:
P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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