o-Toluic acid, 7-nitro-8-quinolyl ester
Basic information
- CAS
29007-01-0- Standard SMILES
Cc1ccccc1C(=O)Oc1c([N+](=O)[O-])ccc2cccnc12- InChIKey
DBJSSVHFDTVLLT-UHFFFAOYSA-N- Molecular formula
- C17H12N2O4
- Average molar mass
- 308.29 g/mol
- Monoisotopic mass
- 308.07970687
Names & identifiers
- Preferred name
- o-Toluic acid, 7-nitro-8-quinolyl ester
- IUPAC
- (7-nitroquinolin-8-yl) 2-methylbenzoate
- English name
- o-Toluic acid 7-nitro-8-quinolyl ester
- Molecular weight
- 0
Names & synonyms
o-Toluic acid, 7-nitro-8-quinolyl ester7-Nitro-8-quinolyl o-toluateBRN 15479558-Quinolinol, 7-nitro-, o-toluate29007-01-0Benzoic acid, 2-methyl-, 7-nitro-8-quinolyl esterDTXSID60183222RefChem:366567DTXCID701057137-nitroquinolin-8-yl 2-methylbenzoateo-Toluic acid 7-nitro-8-quinolyl ester
Database identifiers
- CAS
29007-01-0- PubChem CID
- 206989
- DTXSID
DTXSID60183222- Nikkaji
- J85.068C
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 450
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…