Methyl 2,4-dichloro-alpha-phenylbenzenepropanoate

HCID 21499609

Notes Reactions

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Basic information

CAS: 61698-08-6
Standard SMILES: COC(=O)C(Cc1ccc(Cl)cc1Cl)c1ccccc1
InChIKey: TUQBIYVKGWLDBO-UHFFFAOYSA-N
Molecular formula: C16H14Cl2O2
Average molar mass: 309.2 g/mol
Monoisotopic mass: 308.03708505

Names & identifiers

Preferred name: Methyl 2,4-dichloro-alpha-phenylbenzenepropanoate
IUPAC: methyl 3-(2,4-dichlorophenyl)-2-phenylpropanoate

Names & synonyms

methyl 2,4-dichloro-alpha-phenylbenzenepropanoate61698-08-6SCHEMBL11857052TUQBIYVKGWLDBO-UHFFFAOYSA-NDTXSID601252242Methyl 2,4-dichloro-I+/--phenylbenzenepropanoatemethyl 3-(2,4-dichlorophenyl)-2-phenylpropanoate

Database identifiers

CAS: 61698-08-6
PubChem CID: 21499609
DTXSID: DTXSID601252242

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 20
Formal charge: 0
Complexity: 316

Related reactions

2 records

New reaction record

HRID 167032As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1730170As productuspto-grants-1976_11

Compound notes

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