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102126-70-5 | 1(3H)-Isobenzofuranone, 3,5-dibromo-
CAS No: 102126-70-5 Catalog No: AG0006O7 MDL No:MFCD18251669
Product Description
Catalog Number:
AG0006O7
Chemical Name:
1(3H)-Isobenzofuranone, 3,5-dibromo-
CAS Number:
102126-70-5
Molecular Formula:
C8H4Br2O2
Molecular Weight:
291.9242
MDL Number:
MFCD18251669
IUPAC Name:
3,5-dibromo-3H-2-benzofuran-1-one
InChI:
InChI=1S/C8H4Br2O2/c9-4-1-2-5-6(3-4)7(10)12-8(5)11/h1-3,7H
InChI Key:
AVHYDEJTOWNHJV-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C(Br)OC2=O
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.856g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.926g/mol
Monoisotopic Mass:
289.858g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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