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88673-80-7 | Methanone, (4-bromo-5-hydroxy-3-benzofuranyl)(4-methylphenyl)-
CAS No: 88673-80-7 Catalog No: AG0047L4 MDL No:
Product Description
Catalog Number:
AG0047L4
Chemical Name:
Methanone, (4-bromo-5-hydroxy-3-benzofuranyl)(4-methylphenyl)-
CAS Number:
88673-80-7
Molecular Formula:
C16H11BrO3
Molecular Weight:
331.1607
IUPAC Name:
(4-bromo-5-hydroxy-1-benzofuran-3-yl)-(4-methylphenyl)methanone
InChI:
InChI=1S/C16H11BrO3/c1-9-2-4-10(5-3-9)16(19)11-8-20-13-7-6-12(18)15(17)14(11)13/h2-8,18H,1H3
InChI Key:
DFMJVIVFYMIKPF-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)c1coc2c1c(Br)c(cc2)O
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.989g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.165g/mol
Monoisotopic Mass:
329.989g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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