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3855-87-6 | 6,8-Dibromo-2-oxo-2H-chromene-3-carboxylic acid
CAS No: 3855-87-6 Catalog No: AG003N1E MDL No:MFCD00173735
Product Description
Catalog Number:
AG003N1E
Chemical Name:
6,8-Dibromo-2-oxo-2H-chromene-3-carboxylic acid
CAS Number:
3855-87-6
Molecular Formula:
C10H4Br2O4
Molecular Weight:
347.9444
MDL Number:
MFCD00173735
IUPAC Name:
6,8-dibromo-2-oxochromene-3-carboxylic acid
InChI:
InChI=1S/C10H4Br2O4/c11-5-1-4-2-6(9(13)14)10(15)16-8(4)7(12)3-5/h1-3H,(H,13,14)
InChI Key:
KJFIZDKBEUTEPR-UHFFFAOYSA-N
SMILES:
Brc1cc(Br)c2c(c1)cc(c(=O)o2)C(=O)O
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.846g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
347.946g/mol
Monoisotopic Mass:
345.848g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Synthesis and selective human monoamine oxidase inhibition of 3-carbonyl, 3-acyl, and 3-carboxyhydrazido coumarin derivatives. | European journal of medicinal chemistry 20111001 |
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