1,4-dichlorobenzene;sulfurochloridic acid

C6H5Cl3O3S — CID 19857624

IUPAC1,4-dichlorobenzene;sulfurochloridic acid
SMILESClc1ccc(Cl)cc1.O=S(=O)(O)Cl
InChIInChI=1S/C6H4Cl2.ClHO3S/c7-5-1-2-6(8)4-3-5;1-5(2,3)4/h1-4H;(H,2,3,4)
InChIKeyMRIXPLHUIMQINQ-UHFFFAOYSA-N
MW263.53 g/mol
LogP3.02
Rot. Bonds

About 1,4-dichlorobenzene;sulfurochloridic acid

1,4-dichlorobenzene;sulfurochloridic acid (PubChem CID 19857624) has the molecular formula C6H5Cl3O3S and a molecular weight of 263.53 g/mol. Its IUPAC name is 1,4-dichlorobenzene;sulfurochloridic acid.

Molecular Properties

Compound Name1,4-dichlorobenzene;sulfurochloridic acid
PubChem CID19857624
Molecular FormulaC6H5Cl3O3S
Molecular Weight263.53 g/mol
Exact Mass261.90
IUPAC Name1,4-dichlorobenzene;sulfurochloridic acid
SMILESClc1ccc(Cl)cc1.O=S(=O)(O)Cl
InChIInChI=1S/C6H4Cl2.ClHO3S/c7-5-1-2-6(8)4-3-5;1-5(2,3)4/h1-4H;(H,2,3,4)
InChIKeyMRIXPLHUIMQINQ-UHFFFAOYSA-N
XLogP3.02
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.53
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-dichlorobenzene;sulfurochloridic acid?
The IUPAC name of 1,4-dichlorobenzene;sulfurochloridic acid (CID 19857624) is 1,4-dichlorobenzene;sulfurochloridic acid.
What is the SMILES notation for 1,4-dichlorobenzene;sulfurochloridic acid?
The canonical SMILES for 1,4-dichlorobenzene;sulfurochloridic acid is Clc1ccc(Cl)cc1.O=S(=O)(O)Cl.
What is the InChIKey of 1,4-dichlorobenzene;sulfurochloridic acid?
The InChIKey is MRIXPLHUIMQINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2.ClHO3S/c7-5-1-2-6(8)4-3-5;1-5(2,3)4/h1-4H;(H,2,3,4).
What are the key properties of 1,4-dichlorobenzene;sulfurochloridic acid?
1,4-dichlorobenzene;sulfurochloridic acid has a molecular weight of 263.53 g/mol, XLogP of 3.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichlorobenzene;sulfurochloridic acid is sourced from PubChem (CID 19857624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).