2-chlorobenzonitrile;sulfuryl dichloride

C7H4Cl3NO2S — CID 157411242

IUPAC2-chlorobenzonitrile;sulfuryl dichloride
SMILESN#Cc1ccccc1Cl.O=S(=O)(Cl)Cl
InChIInChI=1S/C7H4ClN.Cl2O2S/c8-7-4-2-1-3-6(7)5-9;1-5(2,3)4/h1-4H;
InChIKeyBOHUPTXNZOEAJZ-UHFFFAOYSA-N
MW272.54 g/mol
LogP2.92
Rot. Bonds

About 2-chlorobenzonitrile;sulfuryl dichloride

2-chlorobenzonitrile;sulfuryl dichloride (PubChem CID 157411242) has the molecular formula C7H4Cl3NO2S and a molecular weight of 272.54 g/mol. Its IUPAC name is 2-chlorobenzonitrile;sulfuryl dichloride.

Molecular Properties

Compound Name2-chlorobenzonitrile;sulfuryl dichloride
PubChem CID157411242
Molecular FormulaC7H4Cl3NO2S
Molecular Weight272.54 g/mol
Exact Mass270.90
IUPAC Name2-chlorobenzonitrile;sulfuryl dichloride
SMILESN#Cc1ccccc1Cl.O=S(=O)(Cl)Cl
InChIInChI=1S/C7H4ClN.Cl2O2S/c8-7-4-2-1-3-6(7)5-9;1-5(2,3)4/h1-4H;
InChIKeyBOHUPTXNZOEAJZ-UHFFFAOYSA-N
XLogP2.92
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.54
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chlorobenzonitrile;sulfuryl dichloride?
The IUPAC name of 2-chlorobenzonitrile;sulfuryl dichloride (CID 157411242) is 2-chlorobenzonitrile;sulfuryl dichloride.
What is the SMILES notation for 2-chlorobenzonitrile;sulfuryl dichloride?
The canonical SMILES for 2-chlorobenzonitrile;sulfuryl dichloride is N#Cc1ccccc1Cl.O=S(=O)(Cl)Cl.
What is the InChIKey of 2-chlorobenzonitrile;sulfuryl dichloride?
The InChIKey is BOHUPTXNZOEAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClN.Cl2O2S/c8-7-4-2-1-3-6(7)5-9;1-5(2,3)4/h1-4H;.
What are the key properties of 2-chlorobenzonitrile;sulfuryl dichloride?
2-chlorobenzonitrile;sulfuryl dichloride has a molecular weight of 272.54 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorobenzonitrile;sulfuryl dichloride is sourced from PubChem (CID 157411242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).