1-Chloro-4-[(2-chloroethoxy)methyl]benzene

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Basic information

CAS: 29904-52-7
Standard SMILES: ClCCOCc1ccc(Cl)cc1
InChIKey: YUAWIKOZQHFAOH-UHFFFAOYSA-N
Molecular formula: C9H10Cl2O
Average molar mass: 205.08 g/mol
Monoisotopic mass: 204.0108703

Names & identifiers

Preferred name: 1-Chloro-4-[(2-chloroethoxy)methyl]benzene
IUPAC: 1-chloro-4-(2-chloroethoxymethyl)benzene

Names & synonyms

1-chloro-4-[(2-chloroethoxy)methyl]benzene29904-52-71-chloro-4-(2-chloroethoxymethyl)benzene1-Chloro-4-((2-chloroethoxy)methyl)benzeneMFCD00172034NSC11266SCHEMBL7432227DTXSID60952359YUAWIKOZQHFAOH-UHFFFAOYSA-N2-(4-chlorobenzyloxy)ethyl chlorideNSC-11266AKOS005087751

Show more names

DS-006757CS-03332993G-965Benzene,1-chloro-4-[(2-chloroethoxy)methyl]-

Database identifiers

CAS: 29904-52-7
PubChem CID: 223535
DTXSID: DTXSID60952359

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 111

Related reactions

2 records

New reaction record

HRID 323877As reactantuspto-grants-2001_04

HRID 950383As reactantValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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