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116096-85-6 | 2H-1-Benzopyran-3-carboxylic acid, 8-bromo-7-hydroxy-2-oxo-
CAS No: 116096-85-6 Catalog No: AG000BM7 MDL No:
Product Description
Catalog Number:
AG000BM7
Chemical Name:
2H-1-Benzopyran-3-carboxylic acid, 8-bromo-7-hydroxy-2-oxo-
CAS Number:
116096-85-6
Molecular Formula:
C10H5BrO5
Molecular Weight:
285.0477
IUPAC Name:
8-bromo-7-hydroxy-2-oxochromene-3-carboxylic acid
InChI:
InChI=1S/C10H5BrO5/c11-7-6(12)2-1-4-3-5(9(13)14)10(15)16-8(4)7/h1-3,12H,(H,13,14)
InChI Key:
UWTKKIADRWMOJO-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2ccc(c(c2oc1=O)Br)O
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.932g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
285.049g/mol
Monoisotopic Mass:
283.932g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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