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115035-43-3 | 2(3H)-Benzofuranone, 3-bromo-
CAS No: 115035-43-3 Catalog No: AG000FRJ MDL No:MFCD00012320
Product Description
Catalog Number:
AG000FRJ
Chemical Name:
2(3H)-Benzofuranone, 3-bromo-
CAS Number:
115035-43-3
Molecular Formula:
C8H5BrO2
Molecular Weight:
213.0281
MDL Number:
MFCD00012320
IUPAC Name:
3-bromo-3H-1-benzofuran-2-one
InChI:
InChI=1S/C8H5BrO2/c9-7-5-3-1-2-4-6(5)11-8(7)10/h1-4,7H
InChI Key:
MXSVEBOOHMKMQG-UHFFFAOYSA-N
SMILES:
O=C1Oc2c(C1Br)cccc2
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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