4-Chloro-5-(3-aminopropoxy)-7-iodoisoindolinone hydrochloride

HCID 68488409
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Basic information

Standard SMILES
Cl.NCCCOc1cc(I)c2c(c1Cl)CNC2=O
InChIKey
KNDPDEFBTKSJIN-UHFFFAOYSA-N
Molecular formula
C11H13Cl2IN2O2
Average molar mass
403.04 g/mol

Names & identifiers

Preferred name
4-Chloro-5-(3-aminopropoxy)-7-iodoisoindolinone hydrochloride
IUPAC
5-(3-aminopropoxy)-4-chloro-7-iodo-2,3-dihydroisoindol-1-one;hydrochloride

Names & synonyms

SCHEMBL3037150KNDPDEFBTKSJIN-UHFFFAOYSA-N4-Chloro-5-(3-aminopropoxy)-7-iodoisoindolinone hydrochloride

Database identifiers

PubChem CID
68488409

Properties

Computed structural properties

Topological polar surface area
64.4 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
18

Related reactions

4 records
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Compound notes

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