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803686-18-2 | Ethanone, 1-(4-bromo-7-hydroxy-2-benzofuranyl)-
CAS No: 803686-18-2 Catalog No: AG0053MW MDL No:
Product Description
Catalog Number:
AG0053MW
Chemical Name:
Ethanone, 1-(4-bromo-7-hydroxy-2-benzofuranyl)-
CAS Number:
803686-18-2
Molecular Formula:
C10H7BrO3
Molecular Weight:
255.0648
IUPAC Name:
1-(4-bromo-7-hydroxy-1-benzofuran-2-yl)ethanone
InChI:
InChI=1S/C10H7BrO3/c1-5(12)9-4-6-7(11)2-3-8(13)10(6)14-9/h2-4,13H,1H3
InChI Key:
FNJDXOOFJCFNSK-UHFFFAOYSA-N
SMILES:
CC(=O)c1oc2c(c1)c(Br)ccc2O
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.958g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.067g/mol
Monoisotopic Mass:
253.958g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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