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1020966-78-2 | 3(2H)-Benzofuranone, 4-bromo-
CAS No: 1020966-78-2 Catalog No: AG0006M5 MDL No:MFCD09744091
Product Description
Catalog Number:
AG0006M5
Chemical Name:
3(2H)-Benzofuranone, 4-bromo-
CAS Number:
1020966-78-2
Molecular Formula:
C8H5BrO2
Molecular Weight:
213.0281
MDL Number:
MFCD09744091
IUPAC Name:
4-bromo-1-benzofuran-3-one
InChI:
InChI=1S/C8H5BrO2/c9-5-2-1-3-7-8(5)6(10)4-11-7/h1-3H,4H2
InChI Key:
UIGIMSDONVLDBV-UHFFFAOYSA-N
SMILES:
O=C1COc2c1c(Br)ccc2
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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