Ethyl 3-(3-chlorophenyl)-2-propenoate

HCID 367203

Notes Reactions

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Basic information

CAS: 62174-98-5
Standard SMILES: CCOC(=O)C=Cc1cccc(Cl)c1
InChIKey: ROEZPXRDTJGAAN-UHFFFAOYSA-N
Molecular formula: C11H11ClO2
Average molar mass: 210.65 g/mol
Monoisotopic mass: 210.0447573

Names & identifiers

Preferred name: Ethyl 3-(3-chlorophenyl)-2-propenoate
IUPAC: ethyl 3-(3-chlorophenyl)prop-2-enoate

Names & synonyms

Ethyl 3-(3-chlorophenyl)-2-propenoateDTXSID00327183RefChem:343158DTXCID9027829662174-98-5ethyl 3-(3-chlorophenyl)prop-2-enoateSCHEMBL564016ROEZPXRDTJGAAN-UHFFFAOYSA-NAKOS017265449

Database identifiers

CAS: 62174-98-5
PubChem CID: 367203
DTXSID: DTXSID00327183

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 213

Related reactions

5 records

New reaction record

HRID 453243As productuspto-grants-2013_07

HRID 640754As productuspto-grants-2010_04

HRID 802844As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 1663560As productuspto-grants-2011_10

HRID 1837629As productuspto-grants-2004_08

Compound notes

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