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5-Bromopentylphthalimide (HCID 22352176)|Huagongshe
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Compound
5-Bromopentylphthalimide
HCID
22352176
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
O=C1NC(=O)c2c(CCCCCBr)cccc21
InChIKey
JVUSVJJCTKWTES-UHFFFAOYSA-N
Molecular formula
C13H14BrNO2
Average molar mass
296.16 g/mol
Names & identifiers
Preferred name
5-Bromopentylphthalimide
IUPAC
4-(5-bromopentyl)isoindole-1,3-dione
Names & synonyms
5-bromopentylphthalimide
SCHEMBL4909203
JVUSVJJCTKWTES-UHFFFAOYSA-N
Database identifiers
PubChem CID
22352176
Properties
Computed structural properties
XLogP
3
Topological polar surface area
46.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
17
Formal charge
0
Complexity
306
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Related reactions
6 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
21788
As product
uspto-grants-1995_06
HRID
21789
As reactant
uspto-grants-1995_06
HRID
247201
As product
uspto-grants-1987_11
HRID
344381
As reactant
uspto-grants-1999_01
HRID
1463799
As product
uspto-grants-1994_04
HRID
2332700
As product
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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Compound notes
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