Benzoic acid, m-isopropoxy-, 7-nitro-8-quinolyl ester
Basic information
- CAS
29002-43-5- Standard SMILES
CC(C)Oc1cccc(C(=O)Oc2c([N+](=O)[O-])ccc3cccnc23)c1- InChIKey
ZJDNXLMHDBYEAJ-UHFFFAOYSA-N- Molecular formula
- C19H16N2O5
- Average molar mass
- 352.3 g/mol
- Monoisotopic mass
- 352.10592162
Names & identifiers
- Preferred name
- Benzoic acid, m-isopropoxy-, 7-nitro-8-quinolyl ester
- IUPAC
- (7-nitroquinolin-8-yl) 3-propan-2-yloxybenzoate
- English name
- 7-Nitro-8-quinolinyl=m-isopropoxybenzoate
- Molecular formula
- C19H16N2O5
- Molecular weight
- 352.34
Names & synonyms
BENZOIC ACID, m-ISOPROPOXY-, 7-NITRO-8-QUINOLYL ESTER29002-43-5BRN 15526158-Quinolinol, 7-nitro-, m-isopropoxybenzoatem-Isopropoxybenzoic acid 7-nitro-8-quinolyl esterDTXSID00183206RefChem:327745DTXCID701056977-Nitro-8-quinolinyl=m-isopropoxybenzoate(7-nitroquinolin-8-yl) 3-propan-2-yloxybenzoateorb1986402SCHEMBL4457852
Show more names
Benzoic acid, 3-(1-methylethoxy)-, 7-nitro-8-quinolinyl ester
AKOS040750771T304047-Nitroquinolin-8-yl 3-[(propan-2-yl)oxy]benzoate
Database identifiers
- CAS
29002-43-5- PubChem CID
- 34408
- DTXSID
DTXSID00183206- Nikkaji
- J83.436J
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 94.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 507
Physicochemical properties
- Boiling point
- 576.3 · 576.3±45.0 °C(Predicted)
- Density
- 1.307 · 1.307±0.06 g/cm3(Predicted)
- pka
- -1.52 · -1.52±0.31(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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