1,3-dichlorobenzene

C6H4Cl2 — CID 10943

IUPAC1,3-dichlorobenzene
SMILESClc1cccc(Cl)c1
InChIInChI=1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H
InChIKeyZPQOPVIELGIULI-UHFFFAOYSA-N
MW147.00 g/mol
LogP2.99
Rot. Bonds

About 1,3-dichlorobenzene

1,3-dichlorobenzene (PubChem CID 10943) has the molecular formula C6H4Cl2 and a molecular weight of 147.00 g/mol. Its IUPAC name is 1,3-dichlorobenzene.

Molecular Properties

Compound Name1,3-dichlorobenzene
PubChem CID10943
Molecular FormulaC6H4Cl2
Molecular Weight147.00 g/mol
Exact Mass145.97
IUPAC Name1,3-dichlorobenzene
SMILESClc1cccc(Cl)c1
InChIInChI=1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H
InChIKeyZPQOPVIELGIULI-UHFFFAOYSA-N
XLogP2.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.00
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichlorobenzene?
The IUPAC name of 1,3-dichlorobenzene (CID 10943) is 1,3-dichlorobenzene.
What is the SMILES notation for 1,3-dichlorobenzene?
The canonical SMILES for 1,3-dichlorobenzene is Clc1cccc(Cl)c1.
What is the InChIKey of 1,3-dichlorobenzene?
The InChIKey is ZPQOPVIELGIULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H.
What are the key properties of 1,3-dichlorobenzene?
1,3-dichlorobenzene has a molecular weight of 147.00 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichlorobenzene is sourced from PubChem (CID 10943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).