Basic information
- CAS
1246812-19-0- Standard SMILES
[2H]C1([2H])C[C@@]([2H])(c2ccc(Cl)c(Cl)c2)c2ccccc2C1([2H])O- InChIKey
GZQAUCBRPSENQB-ZBXVADGGSA-N- Molecular formula
- C16H14Cl2O
- Average molar mass
- 297.2 g/mol
- Monoisotopic mass
- 296.0672774
Names & identifiers
- Preferred name
- (4S)-1,2,2,4-tetradeuterio-4-(3,4-dichlorophenyl)-3H-naphthalen-1-ol
- IUPAC
- (4S)-1,2,2,4-tetradeuterio-4-(3,4-dichlorophenyl)-3H-naphthalen-1-ol
Names & synonyms
1217787-79-5
Database identifiers
- CAS
1246812-19-0- PubChem CID
- 45038975
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 309
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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