(3S)-4-Chloro-2,3-dihydrobenzo[b]furan-3-ylamine
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Basic information
- CAS
1213135-36-4- Standard SMILES
N[C@@H]1COc2cccc(Cl)c21- InChIKey
JQGZTFSBYXGAEC-ZCFIWIBFSA-N- Molecular formula
- C8H8ClNO
- Average molar mass
- 169.61 g/mol
Names & identifiers
- Preferred name
- (3S)-4-Chloro-2,3-dihydrobenzo[b]furan-3-ylamine
- IUPAC
- (3S)-4-chloro-2,3-dihydro-1-benzofuran-3-amine
- English name
- (3S)-4-Chloro-2,3-dihydrobenzo[b]furan-3-ylamine
- Molecular formula
- C8H8ClNO
- Molecular weight
- 169.61
Names & synonyms
1213135-36-4(3S)-4-Chloro-2,3-dihydrobenzo[b]furan-3-ylamine(S)-4-Chloro-2,3-dihydrobenzofuran-3-amine(3S)-4-CHLORO-2,3-DIHYDRO-1-BENZOFURAN-3-AMINEMFCD14562557N11259(S)-4-Chloro-2,3-dihydro-benzofuran-3-ylamine(R)-4-Chloro-2,3-dihydro-benzofuran-3-ylamine(3S)-4-Chloro-2,3-dihydro-benzofuran-3-ylamine3-Benzofuranamine, 4-chloro-2,3-dihydro-, (3S)-
Database identifiers
- CAS
1213135-36-4
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Boiling point
- 230.7 · 230.7±40.0 °C(Predicted)
- Density
- 1.313 · 1.313±0.06 g/cm3(Predicted)
- pka
- 7.94 · 7.94±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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