Home Halogens 1(3H)-Isobenzofuranone, 7-bromo-

1(3H)-Isobenzofuranone, 7-bromo-

CAS No.:
105694-44-8
Catalog Number:
AG007FK6
Molecular Formula:
C8H5BrO2
Molecular Weight:
213.0281
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Product Description
Catalog Number:
AG007FK6
Chemical Name:
1(3H)-Isobenzofuranone, 7-bromo-
CAS Number:
105694-44-8
Molecular Formula:
C8H5BrO2
Molecular Weight:
213.0281
MDL Number:
MFCD18204744
IUPAC Name:
7-bromo-3H-2-benzofuran-1-one
InChI:
InChI=1S/C8H5BrO2/c9-6-3-1-2-5-4-11-8(10)7(5)6/h1-3H,4H2
InChI Key:
BSKYWJYGAQMPLU-UHFFFAOYSA-N
SMILES:
O=C1OCc2c1c(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  
Properties