HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

N-(pentabromobenzoyl)-3,4,5,6-tetrabromophthalimide

HCID 21546566
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(c1c(Br)c(Br)c(Br)c(Br)c1Br)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O
InChIKey
SANSYKRIFUFLKH-UHFFFAOYSA-N
Molecular formula
C15Br9NO3
Average molar mass
961.3 g/mol

Names & identifiers

Preferred name
N-(pentabromobenzoyl)-3,4,5,6-tetrabromophthalimide
IUPAC
4,5,6,7-tetrabromo-2-(2,3,4,5,6-pentabromobenzoyl)isoindole-1,3-dione

Names & synonyms

SCHEMBL11815066SANSYKRIFUFLKH-UHFFFAOYSA-NN-(pentabromobenzoyl)-3,4,5,6-tetrabromophthalimide

Database identifiers

PubChem CID
21546566

Properties

Computed structural properties

XLogP
8.6
Topological polar surface area
54.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
28
Formal charge
0
Complexity
648

Related reactions

2 records
New reaction record
HRID 679466 reaction equation
HRID 679466As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1605208 reaction equation
HRID 1605208As productuspto-grants-1976_04

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes