3-Chloro-3-(4-chlorophenyl)-2-propenal

HCID 26437

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 14063-77-5
Standard SMILES: O=CC=C(Cl)c1ccc(Cl)cc1
InChIKey: IWQMAUVMLFGNGU-UHFFFAOYSA-N
Molecular formula: C9H6Cl2O
Average molar mass: 201.05 g/mol
Monoisotopic mass: 199.9795702

Names & identifiers

Preferred name: 3-Chloro-3-(4-chlorophenyl)-2-propenal
IUPAC: 3-chloro-3-(4-chlorophenyl)prop-2-enal

Names & synonyms

DTXSID4012851363-Chloro-3-(4-chlorophenyl)-2-propenalRefChem:499836DTXCID1017158233-chloro-3-(4-chlorophenyl)prop-2-enalSCHEMBL2559262IWQMAUVMLFGNGU-UHFFFAOYSA-NMFCD001770673-(4-chlorophenyl)-3-chloroacrolein

Database identifiers

CAS: 14063-77-5
PubChem CID: 26437
DTXSID: DTXSID401285136

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 181

Related reactions

2 records

New reaction record

HRID 1419696As reactantuspto-grants-1999_03

HRID 2328605As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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