1-bromo-2-fluorobenzene;sulfuryl dichloride

C6H4BrCl2FO2S — CID 87281333

IUPAC1-bromo-2-fluorobenzene;sulfuryl dichloride
SMILESFc1ccccc1Br.O=S(=O)(Cl)Cl
InChIInChI=1S/C6H4BrF.Cl2O2S/c7-5-3-1-2-4-6(5)8;1-5(2,3)4/h1-4H;
InChIKeyDGINXUZYXJUXTJ-UHFFFAOYSA-N
MW309.97 g/mol
LogP3.30
Rot. Bonds

About 1-bromo-2-fluorobenzene;sulfuryl dichloride

1-bromo-2-fluorobenzene;sulfuryl dichloride (PubChem CID 87281333) has the molecular formula C6H4BrCl2FO2S and a molecular weight of 309.97 g/mol. Its IUPAC name is 1-bromo-2-fluorobenzene;sulfuryl dichloride.

Molecular Properties

Compound Name1-bromo-2-fluorobenzene;sulfuryl dichloride
PubChem CID87281333
Molecular FormulaC6H4BrCl2FO2S
Molecular Weight309.97 g/mol
Exact Mass307.85
IUPAC Name1-bromo-2-fluorobenzene;sulfuryl dichloride
SMILESFc1ccccc1Br.O=S(=O)(Cl)Cl
InChIInChI=1S/C6H4BrF.Cl2O2S/c7-5-3-1-2-4-6(5)8;1-5(2,3)4/h1-4H;
InChIKeyDGINXUZYXJUXTJ-UHFFFAOYSA-N
XLogP3.30
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.97
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-fluorobenzene;sulfuryl dichloride?
The IUPAC name of 1-bromo-2-fluorobenzene;sulfuryl dichloride (CID 87281333) is 1-bromo-2-fluorobenzene;sulfuryl dichloride.
What is the SMILES notation for 1-bromo-2-fluorobenzene;sulfuryl dichloride?
The canonical SMILES for 1-bromo-2-fluorobenzene;sulfuryl dichloride is Fc1ccccc1Br.O=S(=O)(Cl)Cl.
What is the InChIKey of 1-bromo-2-fluorobenzene;sulfuryl dichloride?
The InChIKey is DGINXUZYXJUXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF.Cl2O2S/c7-5-3-1-2-4-6(5)8;1-5(2,3)4/h1-4H;.
What are the key properties of 1-bromo-2-fluorobenzene;sulfuryl dichloride?
1-bromo-2-fluorobenzene;sulfuryl dichloride has a molecular weight of 309.97 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-fluorobenzene;sulfuryl dichloride is sourced from PubChem (CID 87281333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).