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Home > Bromides > 1194373-85-7
1194373-85-7 | 3-Cinnolinecarboxylic acid, 7-bromo-4-hydroxy-
CAS No: 1194373-85-7 Catalog No: AG000P7C MDL No:
Product Description
Catalog Number:
AG000P7C
Chemical Name:
3-Cinnolinecarboxylic acid, 7-bromo-4-hydroxy-
CAS Number:
1194373-85-7
Molecular Formula:
C9H5BrN2O3
Molecular Weight:
269.0516
IUPAC Name:
7-bromo-4-oxo-1H-cinnoline-3-carboxylic acid
InChI:
InChI=1S/C9H5BrN2O3/c10-4-1-2-5-6(3-4)11-12-7(8(5)13)9(14)15/h1-3H,(H,11,13)(H,14,15)
InChI Key:
PHMYOFFFIRSGMY-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)nnc(c2O)C(=O)O
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.948g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.054g/mol
Monoisotopic Mass:
267.948g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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