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5-Chloro-1-(3-chloropropyl)indole-3-carboxaldehyde

HCID 18462091
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=Cc1cn(CCCCl)c2ccc(Cl)cc12
InChIKey
OJXDYDDMENOHFE-UHFFFAOYSA-N
Molecular formula
C12H11Cl2NO
Average molar mass
256.12 g/mol
Monoisotopic mass
255.0217694

Names & identifiers

Preferred name
5-Chloro-1-(3-chloropropyl)indole-3-carboxaldehyde
IUPAC
5-chloro-1-(3-chloropropyl)indole-3-carbaldehyde

Names & synonyms

5-Chloro-1-(3-chloropropyl)indole-3-carboxaldehydeSCHEMBL6638954OJXDYDDMENOHFE-UHFFFAOYSA-N

Database identifiers

PubChem CID
18462091

Properties

Computed structural properties

XLogP
3
Topological polar surface area
22 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
4
Heavy atoms
16
Formal charge
0
Complexity
249

Related reactions

4 records
New reaction record
HRID 2131547 reaction equation
HRID 2131547As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2303948 reaction equation
HRID 2303948As productuspto-grants-2002_08
HRID 2303949 reaction equation
HRID 2303949As reactantuspto-grants-2002_08
HRID 2332787 reaction equation
HRID 2332787As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes