1-chloro-4-methoxybenzene;sulfuryl dichloride

C7H7Cl3O3S — CID 87177696

IUPAC1-chloro-4-methoxybenzene;sulfuryl dichloride
SMILESCOc1ccc(Cl)cc1.O=S(=O)(Cl)Cl
InChIInChI=1S/C7H7ClO.Cl2O2S/c1-9-7-4-2-6(8)3-5-7;1-5(2,3)4/h2-5H,1H3;
InChIKeyUQFOHYVTKHSKKW-UHFFFAOYSA-N
MW277.56 g/mol
LogP3.06
Rot. Bonds1

About 1-chloro-4-methoxybenzene;sulfuryl dichloride

1-chloro-4-methoxybenzene;sulfuryl dichloride (PubChem CID 87177696) has the molecular formula C7H7Cl3O3S and a molecular weight of 277.56 g/mol. Its IUPAC name is 1-chloro-4-methoxybenzene;sulfuryl dichloride.

Molecular Properties

Compound Name1-chloro-4-methoxybenzene;sulfuryl dichloride
PubChem CID87177696
Molecular FormulaC7H7Cl3O3S
Molecular Weight277.56 g/mol
Exact Mass275.92
IUPAC Name1-chloro-4-methoxybenzene;sulfuryl dichloride
SMILESCOc1ccc(Cl)cc1.O=S(=O)(Cl)Cl
InChIInChI=1S/C7H7ClO.Cl2O2S/c1-9-7-4-2-6(8)3-5-7;1-5(2,3)4/h2-5H,1H3;
InChIKeyUQFOHYVTKHSKKW-UHFFFAOYSA-N
XLogP3.06
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.56
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
1-chloro-4-methylbenzene;ethane;1-methoxy-4-methylbenzene
CID 145316184
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
anisole;1,4-dichlorobenzene
CID 175517246
1-[2-(4-chlorophenyl)sulfonylethynyl]-4-methoxybenzene
CID 168868127
anisole;methanesulfonyl chloride
CID 162217178
N-(4-methoxyphenyl)acetamide;sulfuryl dichloride
CID 88785543
(E)-1-(4-chlorophenyl)-4-(4-methoxyphenyl)but-2-ene-1,4-dione
CID 102100444
(4-chlorophenyl) 4-methoxybenzoate
CID 532395
S-(4-chlorobenzoyl)sulfanyl 4-methoxybenzenecarbothioate
CID 12596573
(4-chlorophenyl)methanamine;(4-methoxyphenyl)methanamine
CID 69469244
bis(4-chlorophenyl) sulfate
CID 57162501

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methoxybenzene;sulfuryl dichloride?
The IUPAC name of 1-chloro-4-methoxybenzene;sulfuryl dichloride (CID 87177696) is 1-chloro-4-methoxybenzene;sulfuryl dichloride.
What is the SMILES notation for 1-chloro-4-methoxybenzene;sulfuryl dichloride?
The canonical SMILES for 1-chloro-4-methoxybenzene;sulfuryl dichloride is COc1ccc(Cl)cc1.O=S(=O)(Cl)Cl.
What is the InChIKey of 1-chloro-4-methoxybenzene;sulfuryl dichloride?
The InChIKey is UQFOHYVTKHSKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO.Cl2O2S/c1-9-7-4-2-6(8)3-5-7;1-5(2,3)4/h2-5H,1H3;.
What are the key properties of 1-chloro-4-methoxybenzene;sulfuryl dichloride?
1-chloro-4-methoxybenzene;sulfuryl dichloride has a molecular weight of 277.56 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methoxybenzene;sulfuryl dichloride is sourced from PubChem (CID 87177696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).