7-bromo-4-chloro-1-benzofuran

C8H4BrClO — CID 22495588

IUPAC7-bromo-4-chloro-1-benzofuran
SMILESClc1ccc(Br)c2occc12
InChIInChI=1S/C8H4BrClO/c9-6-1-2-7(10)5-3-4-11-8(5)6/h1-4H
InChIKeyFRFKOGIDFNTSBY-UHFFFAOYSA-N
MW231.48 g/mol
LogP3.85
Rot. Bonds

About 7-bromo-4-chloro-1-benzofuran

7-bromo-4-chloro-1-benzofuran (PubChem CID 22495588) has the molecular formula C8H4BrClO and a molecular weight of 231.48 g/mol. Its IUPAC name is 7-bromo-4-chloro-1-benzofuran.

Molecular Properties

Compound Name7-bromo-4-chloro-1-benzofuran
PubChem CID22495588
Molecular FormulaC8H4BrClO
Molecular Weight231.48 g/mol
Exact Mass229.91
IUPAC Name7-bromo-4-chloro-1-benzofuran
SMILESClc1ccc(Br)c2occc12
InChIInChI=1S/C8H4BrClO/c9-6-1-2-7(10)5-3-4-11-8(5)6/h1-4H
InChIKeyFRFKOGIDFNTSBY-UHFFFAOYSA-N
XLogP3.85
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.48
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-chloro-1-benzofuran?
The IUPAC name of 7-bromo-4-chloro-1-benzofuran (CID 22495588) is 7-bromo-4-chloro-1-benzofuran.
What is the SMILES notation for 7-bromo-4-chloro-1-benzofuran?
The canonical SMILES for 7-bromo-4-chloro-1-benzofuran is Clc1ccc(Br)c2occc12.
What is the InChIKey of 7-bromo-4-chloro-1-benzofuran?
The InChIKey is FRFKOGIDFNTSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClO/c9-6-1-2-7(10)5-3-4-11-8(5)6/h1-4H.
What are the key properties of 7-bromo-4-chloro-1-benzofuran?
7-bromo-4-chloro-1-benzofuran has a molecular weight of 231.48 g/mol, XLogP of 3.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-chloro-1-benzofuran is sourced from PubChem (CID 22495588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).