4-(2-Methyl-3-indolyl)-2,3-dichloro-4-oxo-2-butenoic acid

HCID 236200
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Basic information

Standard SMILES
Cc1[nH]c2ccccc2c1C(=O)C(Cl)=C(Cl)C(=O)O
InChIKey
DQWRTOXPKVXGTF-UHFFFAOYSA-N
Molecular formula
C13H9Cl2NO3
Average molar mass
298.12 g/mol
Monoisotopic mass
296.9959485

Names & identifiers

Preferred name
4-(2-Methyl-3-indolyl)-2,3-dichloro-4-oxo-2-butenoic acid
IUPAC
2,3-dichloro-4-(2-methyl-1H-indol-3-yl)-4-oxobut-2-enoic acid

Names & synonyms

SCHEMBL11103174DQWRTOXPKVXGTF-UHFFFAOYSA-N4-(2-methyl-3-indolyl)-2,3-dichloro-4-oxo-2-butenoic acid

Database identifiers

PubChem CID
236200

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
70.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
19

Related reactions

2 records
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Compound notes

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