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166386-69-2 | 2(3H)-Benzofuranone, 5-bromo-
CAS No: 166386-69-2 Catalog No: AG001WOY MDL No:MFCD20133980
Product Description
Catalog Number:
AG001WOY
Chemical Name:
2(3H)-Benzofuranone, 5-bromo-
CAS Number:
166386-69-2
Molecular Formula:
C8H5BrO2
Molecular Weight:
213.0281
MDL Number:
MFCD20133980
IUPAC Name:
5-bromo-3H-1-benzofuran-2-one
InChI:
InChI=1S/C8H5BrO2/c9-6-1-2-7-5(3-6)4-8(10)11-7/h1-3H,4H2
InChI Key:
QIPSJPXUPBXGKI-UHFFFAOYSA-N
SMILES:
O=C1Oc2c(C1)cc(cc2)Br
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
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