1-Ethoxycarbonylmethylindole-2-carbonyl chloride

HCID 19085163

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCOC(=O)Cn1c(C(=O)Cl)cc2ccccc21
InChIKey: XSBFGSZOLXBOIJ-UHFFFAOYSA-N
Molecular formula: C13H12ClNO3
Average molar mass: 265.69 g/mol

Names & identifiers

Preferred name: 1-Ethoxycarbonylmethylindole-2-carbonyl chloride
IUPAC: ethyl 2-(2-carbonochloridoylindol-1-yl)acetate

Names & synonyms

SCHEMBL8689345XSBFGSZOLXBOIJ-UHFFFAOYSA-N1-Ethoxycarbonylmethylindole-2-carbonyl chloride

Database identifiers

PubChem CID: 19085163

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 48.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 18
Formal charge: 0
Complexity: 334

Related reactions

6 records

New reaction record

HRID 282219 reaction equation

HRID 282219As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 963029 reaction equation

HRID 963029As reactantuspto-grants-1998_06

HRID 963055 reaction equation

HRID 963055As reactantuspto-grants-1998_06

HRID 963066 reaction equation

HRID 963066As reactantuspto-grants-1998_06

HRID 2122675 reaction equation

HRID 2122675As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2334426 reaction equation

HRID 2334426As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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