chlorobenzene;1,2-dichlorobenzene

C12H9Cl3 — CID 22250607

IUPACchlorobenzene;1,2-dichlorobenzene
SMILESClc1ccccc1.Clc1ccccc1Cl
InChIInChI=1S/C6H4Cl2.C6H5Cl/c7-5-3-1-2-4-6(5)8;7-6-4-2-1-3-5-6/h1-4H;1-5H
InChIKeySZRUMHWRJNVJJC-UHFFFAOYSA-N
MW259.56 g/mol
LogP5.33
Rot. Bonds

About chlorobenzene;1,2-dichlorobenzene

chlorobenzene;1,2-dichlorobenzene (PubChem CID 22250607) has the molecular formula C12H9Cl3 and a molecular weight of 259.56 g/mol. Its IUPAC name is chlorobenzene;1,2-dichlorobenzene.

Molecular Properties

Compound Namechlorobenzene;1,2-dichlorobenzene
PubChem CID22250607
Molecular FormulaC12H9Cl3
Molecular Weight259.56 g/mol
Exact Mass257.98
IUPAC Namechlorobenzene;1,2-dichlorobenzene
SMILESClc1ccccc1.Clc1ccccc1Cl
InChIInChI=1S/C6H4Cl2.C6H5Cl/c7-5-3-1-2-4-6(5)8;7-6-4-2-1-3-5-6/h1-4H;1-5H
InChIKeySZRUMHWRJNVJJC-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.56
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of chlorobenzene;1,2-dichlorobenzene?
The IUPAC name of chlorobenzene;1,2-dichlorobenzene (CID 22250607) is chlorobenzene;1,2-dichlorobenzene.
What is the SMILES notation for chlorobenzene;1,2-dichlorobenzene?
The canonical SMILES for chlorobenzene;1,2-dichlorobenzene is Clc1ccccc1.Clc1ccccc1Cl.
What is the InChIKey of chlorobenzene;1,2-dichlorobenzene?
The InChIKey is SZRUMHWRJNVJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2.C6H5Cl/c7-5-3-1-2-4-6(5)8;7-6-4-2-1-3-5-6/h1-4H;1-5H.
What are the key properties of chlorobenzene;1,2-dichlorobenzene?
chlorobenzene;1,2-dichlorobenzene has a molecular weight of 259.56 g/mol, XLogP of 5.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chlorobenzene;1,2-dichlorobenzene is sourced from PubChem (CID 22250607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).