2-[(2-chloro-5-nitrophenyl)methyl]-3,4-dihydro-1H-isoquinoline
Basic information
- CAS
414893-82-6- Standard SMILES
O=[N+]([O-])c1ccc(Cl)c(CN2CCc3ccccc3C2)c1- InChIKey
HMGBGNSVQQIZEV-UHFFFAOYSA-N- Molecular formula
- C16H15ClN2O2
- Average molar mass
- 302.75 g/mol
- Monoisotopic mass
- 302.0822054
Names & identifiers
- Preferred name
- 2-[(2-chloro-5-nitrophenyl)methyl]-3,4-dihydro-1H-isoquinoline
- IUPAC
- 2-[(2-chloro-5-nitrophenyl)methyl]-3,4-dihydro-1H-isoquinoline
Names & synonyms
414893-82-62-[(2-Chloro-5-nitrophenyl)methyl]-1,2,3,4-tetrahydroisoquinolineOprea1_034812DTXSID1011673752-[(2-chloro-5-nitrophenyl)methyl]-3,4-dihydro-1H-isoquinolineAB00078470-012-(2-chloro-5-nitrobenzyl)-1,2,3,4-tetrahydroisoquinoline
Database identifiers
- CAS
414893-82-6- PubChem CID
- 765126
- DTXSID
DTXSID101167375
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 374
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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