5-Bromo-2,3-dihydrobenzofuran-7-amine

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Basic information

CAS: 219963-64-1
Standard SMILES: Nc1cc(Br)cc2c1OCC2
InChIKey: RMUNZENURSBKKK-UHFFFAOYSA-N
Molecular formula: C8H8BrNO
Average molar mass: 214.06 g/mol
Monoisotopic mass: 212.97893

Names & identifiers

Preferred name: 5-Bromo-2,3-dihydrobenzofuran-7-amine
IUPAC: 5-bromo-2,3-dihydro-1-benzofuran-7-amine

Names & synonyms

219963-64-15-BROMO-2,3-DIHYDROBENZOFURAN-7-AMINE5-bromo-2,3-dihydro-1-benzofuran-7-amine5-bromo-2,3-dihydro-7-BenzofuranamineSCHEMBL4100100SCHEMBL30768351RMUNZENURSBKKK-UHFFFAOYSA-NDTXSID301287139AT290747-Amino-5-bromo-2,3-dihydrobenzofuranDA-37872

Database identifiers

CAS: 219963-64-1
PubChem CID: 18354563
DTXSID: DTXSID301287139

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 153

Related reactions

3 records

New reaction record

HRID 429143As productuspto-grants-2001_11

HRID 937566As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 2144666As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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