2-Chloro-4-(1-chloroethyl)-1-cyclohexylbenzene

HCID 21393951

Notes Reactions

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Basic information

CAS: 37049-99-3
Standard SMILES: CC(Cl)c1ccc(C2CCCCC2)c(Cl)c1
InChIKey: WHKLDNVSQYCOJF-UHFFFAOYSA-N
Molecular formula: C14H18Cl2
Average molar mass: 257.2 g/mol
Monoisotopic mass: 256.07855594

Names & identifiers

Preferred name: 2-Chloro-4-(1-chloroethyl)-1-cyclohexylbenzene
IUPAC: 2-chloro-4-(1-chloroethyl)-1-cyclohexylbenzene

Names & synonyms

2-Chloro-4-(1-chloroethyl)-1-cyclohexylbenzene37049-99-3SCHEMBL11729271DTXSID50612935WHKLDNVSQYCOJF-UHFFFAOYSA-N1-(3'-Chloro-4'-cyclohexyl-phenyl)-1-chloro-ethane

Database identifiers

CAS: 37049-99-3
PubChem CID: 21393951
DTXSID: DTXSID50612935

Properties

Computed structural properties

XLogP: 5.9
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 211

Related reactions

2 records

New reaction record

HRID 461509As reactantuspto-grants-1977_12

HRID 943171As reactantValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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