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86-90-8

86-90-8 | 4-Bromophthalic anhydride

CAS No: 86-90-8 Catalog No: AG0038DS MDL No:MFCD00191323

Product Description

Catalog Number:
AG0038DS
Chemical Name:
4-Bromophthalic anhydride
CAS Number:
86-90-8
Molecular Formula:
C8H3BrO3
Molecular Weight:
227.0116
MDL Number:
MFCD00191323
IUPAC Name:
5-bromo-2-benzofuran-1,3-dione
InChI:
InChI=1S/C8H3BrO3/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3H
InChI Key:
BCKVHOUUJMYIAN-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C(=O)OC2=O
EC Number:
201-707-9

Properties

Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.927g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.013g/mol
Monoisotopic Mass:
225.927g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

Literature

Title Journal
5-(2-Phenyl-ethyn-yl)isobenzofuran-1,3-dione. Acta crystallographica. Section E, Structure reports online 20081101

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