Methyl 1-butyl-4-iodo-1H-indole-6-carboxylate

HCID 21086136
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Basic information

CAS
597562-20-4
Standard SMILES
CCCCn1ccc2c(I)cc(C(=O)OC)cc21
InChIKey
UZIHZKLQKYLLRJ-UHFFFAOYSA-N
Molecular formula
C14H16INO2
Average molar mass
357.19 g/mol
Monoisotopic mass
357.02257675

Names & identifiers

Preferred name
Methyl 1-butyl-4-iodo-1H-indole-6-carboxylate
IUPAC
methyl 1-butyl-4-iodoindole-6-carboxylate

Names & synonyms

Methyl 1-butyl-4-iodo-1H-indole-6-carboxylateSCHEMBL3349935UZIHZKLQKYLLRJ-UHFFFAOYSA-NDTXSID801254668597562-20-4

Database identifiers

CAS
597562-20-4
PubChem CID
21086136
DTXSID
DTXSID801254668

Properties

Computed structural propertiesFilling in

XLogP
3.7
Topological polar surface area
31.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
18

Related reactions

8 records
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Compound notes

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