Basic information
- CAS
312944-35-7- Standard SMILES
O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCCc2ccccc21- InChIKey
GPMUZXXBCGFVMC-UHFFFAOYSA-N- Molecular formula
- C16H13ClN2O3
- Average molar mass
- 316.74 g/mol
- Monoisotopic mass
- 316.06147
Names & identifiers
- Preferred name
- 2-Chloro-5-nitrophenyl 1,2,3,4-tetrahydroquinolyl ketone
- IUPAC
- (2-chloro-5-nitrophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
- English name
- 1-{2-chloro-5-nitrobenzoyl}-1,2,3,4-tetrahydroquinoline
- Molecular formula
- C16H13ClN2O3
- Molecular weight
- 316.73902
Names & synonyms
(2-chloro-5-nitrophenyl)(3,4-dihydroquinolin-1(2H)-yl)methanoneOprea1_240644Oprea1_361515STK792356AKOS000678380ST4029612EU-0002421AG-205/11115186SR-01000407601SR-01000407601-11-{2-chloro-5-nitrobenzoyl}-1,2,3,4-tetrahydroquinoline2-chloro-5-nitrophenyl 1,2,3,4-tetrahydroquinolyl ketone
Database identifiers
- CAS
312944-35-7- PubChem CID
- 691925
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 440
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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