4-(1,2-Dimethyl-3-indolyl)-2,3-dichloro-4-oxo-2-butenoic acid

HCID 236202
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Basic information

Standard SMILES
Cc1c(C(=O)C(Cl)=C(Cl)C(=O)O)c2ccccc2n1C
InChIKey
RHLDNGOUPUOHBS-UHFFFAOYSA-N
Molecular formula
C14H11Cl2NO3
Average molar mass
312.1 g/mol

Names & identifiers

Preferred name
4-(1,2-Dimethyl-3-indolyl)-2,3-dichloro-4-oxo-2-butenoic acid
IUPAC
2,3-dichloro-4-(1,2-dimethylindol-3-yl)-4-oxobut-2-enoic acid

Names & synonyms

SCHEMBL11109036RHLDNGOUPUOHBS-UHFFFAOYSA-N4-(1,2-dimethyl-3-indolyl)-2,3-dichloro-4-oxo-2-butenoic acid

Database identifiers

PubChem CID
236202

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
59.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
20

Related reactions

7 records
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Compound notes

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