1,3-dichloro-5-(2-chloroethyl)benzene

C8H7Cl3 — CID 53429810

IUPAC1,3-dichloro-5-(2-chloroethyl)benzene
SMILESClCCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C8H7Cl3/c9-2-1-6-3-7(10)5-8(11)4-6/h3-5H,1-2H2
InChIKeyRGVBVFDMCNQWMO-UHFFFAOYSA-N
MW209.50 g/mol
LogP3.77
Rot. Bonds2

About 1,3-dichloro-5-(2-chloroethyl)benzene

1,3-dichloro-5-(2-chloroethyl)benzene (PubChem CID 53429810) has the molecular formula C8H7Cl3 and a molecular weight of 209.50 g/mol. Its IUPAC name is 1,3-dichloro-5-(2-chloroethyl)benzene.

Molecular Properties

Compound Name1,3-dichloro-5-(2-chloroethyl)benzene
PubChem CID53429810
Molecular FormulaC8H7Cl3
Molecular Weight209.50 g/mol
Exact Mass207.96
IUPAC Name1,3-dichloro-5-(2-chloroethyl)benzene
SMILESClCCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C8H7Cl3/c9-2-1-6-3-7(10)5-8(11)4-6/h3-5H,1-2H2
InChIKeyRGVBVFDMCNQWMO-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.50
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-(2-chloroethyl)benzene?
The IUPAC name of 1,3-dichloro-5-(2-chloroethyl)benzene (CID 53429810) is 1,3-dichloro-5-(2-chloroethyl)benzene.
What is the SMILES notation for 1,3-dichloro-5-(2-chloroethyl)benzene?
The canonical SMILES for 1,3-dichloro-5-(2-chloroethyl)benzene is ClCCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1,3-dichloro-5-(2-chloroethyl)benzene?
The InChIKey is RGVBVFDMCNQWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl3/c9-2-1-6-3-7(10)5-8(11)4-6/h3-5H,1-2H2.
What are the key properties of 1,3-dichloro-5-(2-chloroethyl)benzene?
1,3-dichloro-5-(2-chloroethyl)benzene has a molecular weight of 209.50 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-(2-chloroethyl)benzene is sourced from PubChem (CID 53429810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).