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122590-15-2 | 1,3-Isobenzofurandione, 5-(4-bromophenoxy)-
CAS No: 122590-15-2 Catalog No: AG0017I5 MDL No:
Product Description
Catalog Number:
AG0017I5
Chemical Name:
1,3-Isobenzofurandione, 5-(4-bromophenoxy)-
CAS Number:
122590-15-2
Molecular Formula:
C14H7BrO4
Molecular Weight:
319.1070
IUPAC Name:
5-(4-bromophenoxy)-2-benzofuran-1,3-dione
InChI:
InChI=1S/C14H7BrO4/c15-8-1-3-9(4-2-8)18-10-5-6-11-12(7-10)14(17)19-13(11)16/h1-7H
InChI Key:
VCSUQPYEVUODJI-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)Oc1ccc2c(c1)C(=O)OC2=O
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.953g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.11g/mol
Monoisotopic Mass:
317.953g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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