1H-Pyrazole-5-carboxylic acid, 3-bromo-1-(3-chloro-2-pyridinyl)-


Chemical Name: 1H-Pyrazole-5-carboxylic acid, 3-bromo-1-(3-chloro-2-pyridinyl)-
CAS Number: 500011-86-9
Product Number: AG00DECW(AGN-PC-00C5IK)
Synonyms:
MDL No:
Molecular Formula: C9H5BrClN3O2
Molecular Weight: 302.5119

Identification/Properties


Computed Properties
Molecular Weight:
302.512g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
300.925g/mol
Monoisotopic Mass:
300.925g/mol
Topological Polar Surface Area:
68A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
282
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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