1-chloro-2-(2-chloroethyl)benzene

C8H8Cl2 — CID 12587535

IUPAC1-chloro-2-(2-chloroethyl)benzene
SMILESClCCc1ccccc1Cl
InChIInChI=1S/C8H8Cl2/c9-6-5-7-3-1-2-4-8(7)10/h1-4H,5-6H2
InChIKeyNFWMXIVUTWWCNO-UHFFFAOYSA-N
MW175.06 g/mol
LogP3.12
Rot. Bonds2

About 1-chloro-2-(2-chloroethyl)benzene

1-chloro-2-(2-chloroethyl)benzene (PubChem CID 12587535) has the molecular formula C8H8Cl2 and a molecular weight of 175.06 g/mol. Its IUPAC name is 1-chloro-2-(2-chloroethyl)benzene.

Molecular Properties

Compound Name1-chloro-2-(2-chloroethyl)benzene
PubChem CID12587535
Molecular FormulaC8H8Cl2
Molecular Weight175.06 g/mol
Exact Mass174.00
IUPAC Name1-chloro-2-(2-chloroethyl)benzene
SMILESClCCc1ccccc1Cl
InChIInChI=1S/C8H8Cl2/c9-6-5-7-3-1-2-4-8(7)10/h1-4H,5-6H2
InChIKeyNFWMXIVUTWWCNO-UHFFFAOYSA-N
XLogP3.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.06
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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1-chloro-2-[2-[2-[2-[2-(2-chlorophenyl)ethoxy]ethoxy]ethoxy]ethyl]benzene
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CID 142279480
1-[2-(2-chlorophenyl)ethyl]naphthalene
CID 20686215
azane;1-butyl-2-chlorobenzene
CID 19011342
CID 88515237
CID 88515237
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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(2-chloroethyl)benzene?
The IUPAC name of 1-chloro-2-(2-chloroethyl)benzene (CID 12587535) is 1-chloro-2-(2-chloroethyl)benzene.
What is the SMILES notation for 1-chloro-2-(2-chloroethyl)benzene?
The canonical SMILES for 1-chloro-2-(2-chloroethyl)benzene is ClCCc1ccccc1Cl.
What is the InChIKey of 1-chloro-2-(2-chloroethyl)benzene?
The InChIKey is NFWMXIVUTWWCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2/c9-6-5-7-3-1-2-4-8(7)10/h1-4H,5-6H2.
What are the key properties of 1-chloro-2-(2-chloroethyl)benzene?
1-chloro-2-(2-chloroethyl)benzene has a molecular weight of 175.06 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(2-chloroethyl)benzene is sourced from PubChem (CID 12587535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).