Name: Name:1H-Isoindole-1,3(2H)-dione, 5,6-dibromo-
Brand: Angene
SKU: AG002P41
Rating: 90 (10 reviews)

1H-Isoindole-1,3(2H)-dione, 5,6-dibromo-

CAS No.:

247045-28-9

Catalog Number:

AG002P41

Molecular Formula:

C8H3Br2NO2

Molecular Weight:

304.9229

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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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

304.851g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

304.925g/mol

Monoisotopic Mass:

302.853g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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