CAS 24407-32-7|4,5,6,7-Tetrabromo-1H-isoindole-1,3(2H)-dione|4,5,6,7-tetrabromo-2H-isoindole-1,3-dione|4,5,6,7-Tetrabromoisoindolin-1,3-dione|4,5,6,7-tetrabromo-2,3-dihydro-1H-isoindole-1,3-dione|3,...

General Information

Structure

Molecular Formula

C₈HBr₄NO₂

Molecular Mass

462.71504

Exact Mass

458.67407628

Charge

InChI

InChI=1S/C8HBr4NO2/c9-3-1-2(8(15)13-7(1)14)4(10)6(12)5(3)11/h(H,13,14,15)

InChIKey

QRFTXHFUNIFHST-UHFFFAOYSA-N

Canonic Smiles

O=C1NC(=O)c2c1c(Br)c(c(c2Br)Br)Br

Isomeric Smiles

N1C(=O)c2c(c(c(c(c2Br)Br)Br)Br)C1=O

Calculated Properties

JChem

Acid pKa

7.5951257

H Acceptors

H Donor

LogD (pH = 5.5)

3.7649326

LogD (pH = 7.4)

3.5571818

Log P

3.7684336

Molar Refractivity

69.806

Polarizability

26.80779

Polar Surface Area

46.17

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

3,4,5,6-Tetrabromophthalimide 97%4,5,6,7-Tetrabromo-1H-isoindole-1,3(2H)-dione4,5,6,7-Tetrabromoisoindolin-1,3-dione4,5,6,7-四溴异吲哚-1,3-二酮3,4,5,6-Tetrabromophthalimide3,4,5,6-四溴邻苯二甲酰亚胺4,5,6,7-Tetrabromoisoindole-1,3-dione

IUPAC name

4,5,6,7-tetrabromo-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC Traditional name

4,5,6,7-tetrabromo-2H-isoindole-1,3-dione

Names and Identifiers

Registration numbers

MDL Number

MFCD00005882

CAS Number

24407-32-7

PubChem SID

162041629