Benzoic acid, m-propoxy-, 7-nitro-8-quinolyl ester
Basic information
- CAS
29082-33-5- Standard SMILES
CCCOc1cccc(C(=O)Oc2c([N+](=O)[O-])ccc3cccnc23)c1- InChIKey
FKDAWRAVHQGYPL-UHFFFAOYSA-N- Molecular formula
- C19H16N2O5
- Average molar mass
- 352.3 g/mol
- Monoisotopic mass
- 352.10592162
Names & identifiers
- Preferred name
- Benzoic acid, m-propoxy-, 7-nitro-8-quinolyl ester
- IUPAC
- (7-nitroquinolin-8-yl) 3-propoxybenzoate
Names & synonyms
BRN 1551408BENZOIC ACID, m-PROPOXY-, 7-NITRO-8-QUINOLYL ESTER8-Quinolinol, 7-nitro-, m-propoxybenzoatem-Propoxybenzoic acid 7-nitro-8-quinolyl ester29082-33-5DTXSID50183332RefChem:327747DTXCID601058237-nitroquinolin-8-yl 3-propoxybenzoateSCHEMBL4466851
Database identifiers
- CAS
29082-33-5- PubChem CID
- 34465
- DTXSID
DTXSID50183332- Nikkaji
- J83.502A
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 94.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 495
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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