1,3,5-trichloro-2-(2,3-dichloropropyl)benzene

C9H7Cl5 — CID 21327918

IUPAC1,3,5-trichloro-2-(2,3-dichloropropyl)benzene
SMILESClCC(Cl)Cc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C9H7Cl5/c10-4-6(12)1-7-8(13)2-5(11)3-9(7)14/h2-3,6H,1,4H2
InChIKeyDFISKDAJUBKXOL-UHFFFAOYSA-N
MW292.42 g/mol
LogP5.04
Rot. Bonds3

About 1,3,5-trichloro-2-(2,3-dichloropropyl)benzene

1,3,5-trichloro-2-(2,3-dichloropropyl)benzene (PubChem CID 21327918) has the molecular formula C9H7Cl5 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1,3,5-trichloro-2-(2,3-dichloropropyl)benzene.

Molecular Properties

Compound Name1,3,5-trichloro-2-(2,3-dichloropropyl)benzene
PubChem CID21327918
Molecular FormulaC9H7Cl5
Molecular Weight292.42 g/mol
Exact Mass289.90
IUPAC Name1,3,5-trichloro-2-(2,3-dichloropropyl)benzene
SMILESClCC(Cl)Cc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C9H7Cl5/c10-4-6(12)1-7-8(13)2-5(11)3-9(7)14/h2-3,6H,1,4H2
InChIKeyDFISKDAJUBKXOL-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.42
LogP ≤ 55.04
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 1,3,5-trichloro-2-(2,3-dichloropropyl)benzene?
The IUPAC name of 1,3,5-trichloro-2-(2,3-dichloropropyl)benzene (CID 21327918) is 1,3,5-trichloro-2-(2,3-dichloropropyl)benzene.
What is the SMILES notation for 1,3,5-trichloro-2-(2,3-dichloropropyl)benzene?
The canonical SMILES for 1,3,5-trichloro-2-(2,3-dichloropropyl)benzene is ClCC(Cl)Cc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 1,3,5-trichloro-2-(2,3-dichloropropyl)benzene?
The InChIKey is DFISKDAJUBKXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl5/c10-4-6(12)1-7-8(13)2-5(11)3-9(7)14/h2-3,6H,1,4H2.
What are the key properties of 1,3,5-trichloro-2-(2,3-dichloropropyl)benzene?
1,3,5-trichloro-2-(2,3-dichloropropyl)benzene has a molecular weight of 292.42 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trichloro-2-(2,3-dichloropropyl)benzene is sourced from PubChem (CID 21327918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).