Basic information
- CAS
29002-44-6- Standard SMILES
CC(C)Oc1ccc(C(=O)Oc2c([N+](=O)[O-])ccc3cccnc23)cc1- InChIKey
QXUCGNHQZKLEKB-UHFFFAOYSA-N- Molecular formula
- C19H16N2O5
- Average molar mass
- 352.3 g/mol
- Monoisotopic mass
- 352.10592162
Names & identifiers
- Preferred name
- Benzoic acid, p-isopropoxy-, 7-nitro-8-quinolyl ester
- IUPAC
- (7-nitroquinolin-8-yl) 4-propan-2-yloxybenzoate
- English name
- 7-Nitro-8-quinolyl=p-isopropoxybenzoate
- Molecular formula
- C19H16N2O5
- Molecular weight
- 352.34074
Names & synonyms
BRN 1551409BENZOIC ACID, p-ISOPROPOXY-, 7-NITRO-8-QUINOLYL ESTER8-Quinolinol, 7-nitro-, p-isopropoxybenzoatep-Isopropoxybenzoic acid 7-nitro-8-quinolyl ester29002-44-6DTXSID60183207RefChem:327949DTXCID30105698SCHEMBL44586737-Nitroquinolin-8-yl 4-[(propan-2-yl)oxy]benzoate7-Nitro-8-quinolyl=p-isopropoxybenzoate
Database identifiers
- CAS
29002-44-6- PubChem CID
- 34409
- DTXSID
DTXSID60183207- Nikkaji
- J83.437H
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
- 499
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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