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247045-28-9 | 1H-Isoindole-1,3(2H)-dione, 5,6-dibromo-
CAS No: 247045-28-9 Catalog No: AG002P41 MDL No:MFCD00982272
Product Description
Catalog Number:
AG002P41
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 5,6-dibromo-
CAS Number:
247045-28-9
Molecular Formula:
C8H3Br2NO2
Molecular Weight:
304.9229
MDL Number:
MFCD00982272
IUPAC Name:
5,6-dibromoisoindole-1,3-dione
InChI:
InChI=1S/C8H3Br2NO2/c9-5-1-3-4(2-6(5)10)8(13)11-7(3)12/h1-2H,(H,11,12,13)
InChI Key:
UHWYUWWFPSLKRN-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)c2c1cc(Br)c(c2)Br
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.851g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.925g/mol
Monoisotopic Mass:
302.853g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| 4,5-Dibromophthalimide forms two centrosymmetric dimers, one linked by C-H...O hydrogen bonds and one by N-H...O hydrogen bonds. | Acta crystallographica. Section C, Crystal structure communications 20070301 |
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