Basic information
- Standard SMILES
CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc([N+](=O)[O-])c2)C1- InChIKey
BSYKAJIGNZEMER-UHFFFAOYSA-N- Molecular formula
- C16H14Cl2N2O2
- Average molar mass
- 337.2 g/mol
Names & identifiers
- Preferred name
- 6,8-Dichloro-2-methyl-4-(3-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline
- IUPAC
- 6,8-dichloro-2-methyl-4-(3-nitrophenyl)-3,4-dihydro-1H-isoquinoline
Names & synonyms
SCHEMBL2576762BSYKAJIGNZEMER-UHFFFAOYSA-N6,8-dichloro-2-methyl-4-(3-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline
Database identifiers
- PubChem CID
- 67459281
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 417
Related reactions
10 records
Compound notes
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