Home Halogens 5-bromo-1-methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid

5-bromo-1-methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid

CAS No.:
1779998-57-0
Catalog Number:
AG01B4TV
Molecular Formula:
C7H6BrNO3
Molecular Weight:
232.0314
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Product Description
Catalog Number:
AG01B4TV
Chemical Name:
5-bromo-1-methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid
CAS Number:
1779998-57-0
Molecular Formula:
C7H6BrNO3
Molecular Weight:
232.0314
MDL Number:
MFCD30662710
IUPAC Name:
5-bromo-1-methyl-2-oxopyridine-4-carboxylic acid
InChI:
InChI=1S/C7H6BrNO3/c1-9-3-5(8)4(7(11)12)2-6(9)10/h2-3H,1H3,(H,11,12)
InChI Key:
AJSDEQNLENCSFU-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(=O)n(cc1Br)C
Properties
Complexity:
306  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.953g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.033g/mol
Monoisotopic Mass:
230.953g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties