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89449-77-4 | 1(3H)-Isobenzofuranone, 3-bromo-4,7-dimethoxy-
CAS No: 89449-77-4 Catalog No: AG0044EG MDL No:
Product Description
Catalog Number:
AG0044EG
Chemical Name:
1(3H)-Isobenzofuranone, 3-bromo-4,7-dimethoxy-
CAS Number:
89449-77-4
Molecular Formula:
C10H9BrO4
Molecular Weight:
273.0801
IUPAC Name:
3-bromo-4,7-dimethoxy-3H-2-benzofuran-1-one
InChI:
InChI=1S/C10H9BrO4/c1-13-5-3-4-6(14-2)8-7(5)9(11)15-10(8)12/h3-4,9H,1-2H3
InChI Key:
IZHITGGCGGDWCM-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1C(=O)OC2Br)OC
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.968g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.082g/mol
Monoisotopic Mass:
271.968g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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