1-Phenyl-2-chloro-cyclohex-3-ene-carboxylic-acid-ethyl-ester

HCID 21394560
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Basic information

Standard SMILES
CCOC(=O)C1(c2ccccc2)CCC=CC1Cl
InChIKey
JVAKBQZRTDJEEL-UHFFFAOYSA-N
Molecular formula
C15H17ClO2
Average molar mass
264.74 g/mol
Monoisotopic mass
264.0917075

Names & identifiers

Preferred name
1-Phenyl-2-chloro-cyclohex-3-ene-carboxylic-acid-ethyl-ester
IUPAC
ethyl 2-chloro-1-phenylcyclohex-3-ene-1-carboxylate

Names & synonyms

SCHEMBL11726147JVAKBQZRTDJEEL-UHFFFAOYSA-N1-phenyl-2-chloro-cyclohex-3-ene-1-carboxylic-acid-ethyl-ester1-Phenyl-2-chloro-cyclohex-3-ene-carboxylic-acid-ethyl-ester

Database identifiers

PubChem CID
21394560

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
18

Related reactions

5 records
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Compound notes

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