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Basic information
- CAS
1315688-28-8- Standard SMILES
Cl.NCCc1coc2cc(I)ccc12- InChIKey
DDZVVKXJNRPDKU-UHFFFAOYSA-N- Molecular formula
- C10H11ClINO
- Average molar mass
- 323.56 g/mol
- Monoisotopic mass
- 322.95738965
Names & identifiers
- Preferred name
- 2-(6-Iodobenzofuran-3-yl)ethanamine hydrochloride
- IUPAC
- 2-(6-iodo-1-benzofuran-3-yl)ethanamine;hydrochloride
Names & synonyms
1315688-28-82-(6-iodobenzofuran-3-yl)ethanamine hydrochloride2-(6-iodo-1-benzofuran-3-yl)ethan-1-amine hydrochlorideSCHEMBL2225035DTXSID70736829DDZVVKXJNRPDKU-UHFFFAOYSA-N2-(6-iodobenzofuran-3-yl)ethanaminehydrochloride2-(6-iodo-1-benzofuran-3-yl)ethanamine hydrochloride2-(6-Iodo-1-benzofuran-3-yl)ethan-1-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
1315688-28-8- PubChem CID
- 67324003
- DTXSID
DTXSID70736829
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 176
Related reactions
2 records
Compound notes
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