4-(3,4-Dichlorophenyl)but-3-en-2-one

Substructure search Find similar structures

Basic information

CAS: 55420-70-7
Standard SMILES: CC(=O)/C=C/c1ccc(Cl)c(Cl)c1
InChIKey: HSKXQSBYMAGOIH-NSCUHMNNSA-N
Molecular formula: C10H8Cl2O
Average molar mass: 215.07 g/mol

Names & identifiers

Preferred name: 4-(3,4-Dichlorophenyl)but-3-en-2-one
IUPAC: (E)-4-(3,4-dichlorophenyl)but-3-en-2-one

Names & synonyms

4-(3,4-dichlorophenyl)but-3-en-2-one74546-02-455420-70-7(E)-4-(3,4-dichlorophenyl)but-3-en-2-one3-Buten-2-one, 4-(3,4-dichlorophenyl)-, (3E)-(3E)-4-(3,4-dichlorophenyl)but-3-en-2-oneMFCD000528494-(3,4-Dichlorophenyl)-3-butene-2-oneNSC298203starbld0002619SCHEMBL1344557HSKXQSBYMAGOIH-NSCUHMNNSA-N

Show more names

SBB095061NSC-298203BP-13188BS-29448SY458710CS-0205845(3E)-4-(3,4-dichlorophenyl)-3-buten-2-oneEN300-190248

Database identifiers

CAS: 55420-70-7
PubChem CID: 5795072
Nikkaji: J1.911.629H

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 213

Related reactions

3 records

New reaction record

HRID 559278As reactantuspto-grants-2011_11

HRID 906866As reactantuspto-grants-2011_09

HRID 1880214As reactantuspto-grants-2012_11

Compound notes

Loading…