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201809-69-0 | 6-Bromobenzofuran-3(2H)-one
CAS No: 201809-69-0 Catalog No: AG0027V0 MDL No:MFCD08437617
Product Description
Catalog Number:
AG0027V0
Chemical Name:
6-Bromobenzofuran-3(2H)-one
CAS Number:
201809-69-0
Molecular Formula:
C8H5BrO2
Molecular Weight:
213.0281
MDL Number:
MFCD08437617
IUPAC Name:
6-bromo-1-benzofuran-3-one
InChI:
InChI=1S/C8H5BrO2/c9-5-1-2-6-7(10)4-11-8(6)3-5/h1-3H,4H2
InChI Key:
CJEHZCSKQCWMJL-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)OCC2=O
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.947g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.03g/mol
Monoisotopic Mass:
211.947g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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