1,2-dichlorobenzene;hydrate;hydrochloride

C6H7Cl3O — CID 141479272

IUPAC1,2-dichlorobenzene;hydrate;hydrochloride
SMILESCl.Clc1ccccc1Cl.O
InChIInChI=1S/C6H4Cl2.ClH.H2O/c7-5-3-1-2-4-6(5)8;;/h1-4H;1H;1H2
InChIKeyMJSQLANNSAZTES-UHFFFAOYSA-N
MW201.48 g/mol
LogP2.59
Rot. Bonds

About 1,2-dichlorobenzene;hydrate;hydrochloride

1,2-dichlorobenzene;hydrate;hydrochloride (PubChem CID 141479272) has the molecular formula C6H7Cl3O and a molecular weight of 201.48 g/mol. Its IUPAC name is 1,2-dichlorobenzene;hydrate;hydrochloride.

Molecular Properties

Compound Name1,2-dichlorobenzene;hydrate;hydrochloride
PubChem CID141479272
Molecular FormulaC6H7Cl3O
Molecular Weight201.48 g/mol
Exact Mass199.96
IUPAC Name1,2-dichlorobenzene;hydrate;hydrochloride
SMILESCl.Clc1ccccc1Cl.O
InChIInChI=1S/C6H4Cl2.ClH.H2O/c7-5-3-1-2-4-6(5)8;;/h1-4H;1H;1H2
InChIKeyMJSQLANNSAZTES-UHFFFAOYSA-N
XLogP2.59
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.48
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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carbon monoxide;chromium;1,2-dichlorobenzene
CID 10924039
chlorobenzene;1,2-dichlorobenzene
CID 22250607
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(2-chlorophenyl)phosphane;hydrochloride
CID 174674792
(2-chlorophenyl)-diphenylbismuthane
CID 12779258
chlorobenzene;chloroform;1,2-dichlorobenzene
CID 159790050
calcium;1,2-dichlorobenzene;diformate
CID 174875023
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Frequently Asked Questions

What is the IUPAC name of 1,2-dichlorobenzene;hydrate;hydrochloride?
The IUPAC name of 1,2-dichlorobenzene;hydrate;hydrochloride (CID 141479272) is 1,2-dichlorobenzene;hydrate;hydrochloride.
What is the SMILES notation for 1,2-dichlorobenzene;hydrate;hydrochloride?
The canonical SMILES for 1,2-dichlorobenzene;hydrate;hydrochloride is Cl.Clc1ccccc1Cl.O.
What is the InChIKey of 1,2-dichlorobenzene;hydrate;hydrochloride?
The InChIKey is MJSQLANNSAZTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2.ClH.H2O/c7-5-3-1-2-4-6(5)8;;/h1-4H;1H;1H2.
What are the key properties of 1,2-dichlorobenzene;hydrate;hydrochloride?
1,2-dichlorobenzene;hydrate;hydrochloride has a molecular weight of 201.48 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichlorobenzene;hydrate;hydrochloride is sourced from PubChem (CID 141479272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).