Basic information
- CAS
1246816-01-2- Standard SMILES
O[C@@H]1Cc2ccc(Br)cc2C1- InChIKey
QYVONEHTDRTAHN-SECBINFHSA-N- Molecular formula
- C9H9BrO
- Average molar mass
- 213.07 g/mol
- Monoisotopic mass
- 211.98368
Names & identifiers
- Preferred name
- (R)-5-Bromo-2,3-dihydro-1H-inden-2-ol
- IUPAC
- (2R)-5-bromo-2,3-dihydro-1H-inden-2-ol
- English name
- (R)-5-Bromo-2,3-dihydro-1H-inden-2-ol
- Molecular formula
- C9H9BrO
- Molecular weight
- 213.07
Names & synonyms
(R)-5-Bromo-2,3-dihydro-1H-inden-2-ol1246816-01-2DTXSID501284498(R)-5-Bromo-2,3-dihydro-1H-inden-2-ol; 1H-Inden-2-ol, 5-bromo-2,3-dihydro-, (2R)-; (2R)-5-Bromo-2,3-dihydro-1H-inden-2-ol; (R)-5-Bromo-2,3-dihydro-1H-inden-2-ol; (R)-5-Bromoindan-2-ol1H-Inden-2-ol, 5-bromo-2,3-dihydro-, (2R)-
Database identifiers
- CAS
1246816-01-2- PubChem CID
- 52215331
- DTXSID
DTXSID501284498
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- Boiling point
- 299.6 · 299.6±40.0 °C(Predicted)
- Density
- 1.617 · 1.617±0.06 g/cm3(Predicted)
- pka
- 14.45 · 14.45±0.20(Predicted)
Chemistry & industry
Applications
UsesConcise syntheses of 2-aminoindans via indan-2-ol.
Suppliers1 total
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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