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Home > Bromides > 1216835-16-3
1216835-16-3 | 5-Bromo-4,6-dihydroxynicotinic acid
CAS No: 1216835-16-3 Catalog No: AG01FDU0 MDL No:
Product Description
Catalog Number:
AG01FDU0
Chemical Name:
5-Bromo-4,6-dihydroxynicotinic acid
CAS Number:
1216835-16-3
Molecular Formula:
C6H4BrNO4
Molecular Weight:
234.0043
IUPAC Name:
5-bromo-4-hydroxy-6-oxo-1H-pyridine-3-carboxylic acid
InChI:
InChI=1S/C6H4BrNO4/c7-3-4(9)2(6(11)12)1-8-5(3)10/h1H,(H,11,12)(H2,8,9,10)
InChI Key:
FXQJLZRIESOXFV-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc(c(c1O)Br)O
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.932g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
234.005g/mol
Monoisotopic Mass:
232.932g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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