2-bromo-1-benzofuran

C8H5BrO — CID 2776264

IUPAC2-bromo-1-benzofuran
SMILESBrc1cc2ccccc2o1
InChIInChI=1S/C8H5BrO/c9-8-5-6-3-1-2-4-7(6)10-8/h1-5H
InChIKeyRNEOFIVNTNLSEH-UHFFFAOYSA-N
MW197.03 g/mol
LogP3.20
Rot. Bonds

About 2-bromo-1-benzofuran

2-bromo-1-benzofuran (PubChem CID 2776264) has the molecular formula C8H5BrO and a molecular weight of 197.03 g/mol. Its IUPAC name is 2-bromo-1-benzofuran.

Molecular Properties

Compound Name2-bromo-1-benzofuran
PubChem CID2776264
Molecular FormulaC8H5BrO
Molecular Weight197.03 g/mol
Exact Mass195.95
IUPAC Name2-bromo-1-benzofuran
SMILESBrc1cc2ccccc2o1
InChIInChI=1S/C8H5BrO/c9-8-5-6-3-1-2-4-7(6)10-8/h1-5H
InChIKeyRNEOFIVNTNLSEH-UHFFFAOYSA-N
XLogP3.20
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.03
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-benzofuran?
The IUPAC name of 2-bromo-1-benzofuran (CID 2776264) is 2-bromo-1-benzofuran.
What is the SMILES notation for 2-bromo-1-benzofuran?
The canonical SMILES for 2-bromo-1-benzofuran is Brc1cc2ccccc2o1.
What is the InChIKey of 2-bromo-1-benzofuran?
The InChIKey is RNEOFIVNTNLSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrO/c9-8-5-6-3-1-2-4-7(6)10-8/h1-5H.
What are the key properties of 2-bromo-1-benzofuran?
2-bromo-1-benzofuran has a molecular weight of 197.03 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-benzofuran is sourced from PubChem (CID 2776264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).