Home
MCP
Workbench
Skills
More
English
English
Home
Workbench
Notifications
Me
3,4-Dibromohexahydrophthalimide (HCID 21542796)|Huagongshe
Home
/
Compound
3,4-Dibromohexahydrophthalimide
HCID
21542796
Save
Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
Substructure search
Find similar structures
Basic information
Standard SMILES
O=C1NC(=O)C2C1CCC(Br)C2Br
InChIKey
DDAWDJHXKZTIAB-UHFFFAOYSA-N
Molecular formula
C8H9Br2NO2
Average molar mass
310.97 g/mol
Names & identifiers
Preferred name
3,4-Dibromohexahydrophthalimide
IUPAC
4,5-dibromo-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
Names & synonyms
3,4-Dibromohexahydrophthalimide
SCHEMBL2040834
DDAWDJHXKZTIAB-UHFFFAOYSA-N
Database identifiers
PubChem CID
21542796
Properties
Computed structural properties
XLogP
1.2
Topological polar surface area
46.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
13
Formal charge
0
Complexity
269
Show all 8
Show all 8 / 8
Related reactions
24 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
91251
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
135581
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID
173093
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID
290489
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
809141
As reactant
Test data from https://doi.org/10.1039/C8SC04228D
HRID
960756
As reactant
Validation data from https://doi.org/10.1039/C8SC04228D
HRID
1139569
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID
1229580
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Show 4 more
Page 1 of 3
Next
Compound notes
Loading…