3-Pyridinecarboxylic acid, 5-bromo-1,2-dihydro-6-methyl-2-oxo-


Chemical Name: 3-Pyridinecarboxylic acid, 5-bromo-1,2-dihydro-6-methyl-2-oxo-
CAS Number: 503437-35-2
Product Number: AG00DK5A(AGN-PC-02ZSCD)
Synonyms:
MDL No:
Molecular Formula: C7H6BrNO3
Molecular Weight: 232.0314

Identification/Properties


Computed Properties
Molecular Weight:
232.033g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
230.953g/mol
Monoisotopic Mass:
230.953g/mol
Topological Polar Surface Area:
66.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
317
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-H319
Precautionary Statements:
P301+P312+P330-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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