1-(3,4-Dichlorophenyl)bicyclo[3.1.0]hexan-3-one

HCID 59779148

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=C1CC2CC2(c2ccc(Cl)c(Cl)c2)C1
InChIKey: AICMYBXPBIHUES-UHFFFAOYSA-N
Molecular formula: C12H10Cl2O
Average molar mass: 241.11 g/mol

Names & identifiers

Preferred name: 1-(3,4-Dichlorophenyl)bicyclo[3.1.0]hexan-3-one
IUPAC: 1-(3,4-dichlorophenyl)bicyclo[3.1.0]hexan-3-one

Names & synonyms

SCHEMBL728516AICMYBXPBIHUES-UHFFFAOYSA-N1-(3,4-dichlorophenyl)bicyclo[3.1.0]hexan-3-one

Database identifiers

PubChem CID: 59779148

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 304

Related reactions

7 records

New reaction record

HRID 166361As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 802763As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1096712As productuspto-grants-2012_03

HRID 1096713As reactantuspto-grants-2012_03

HRID 1096714As reactantuspto-grants-2012_03

HRID 1096715As reactantuspto-grants-2012_03

HRID 1540345As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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