BENZOIC ACID, o-BROMO-, 7-NITRO-8-QUINOLYL ESTER
Basic information
- CAS
29007-07-6- Standard SMILES
O=C(Oc1c([N+](=O)[O-])ccc2cccnc12)c1ccccc1Br- InChIKey
CXJLHPOTKZQEJD-UHFFFAOYSA-N- Molecular formula
- C16H9BrN2O4
- Average molar mass
- 373.16 g/mol
- Monoisotopic mass
- 371.97457
Names & identifiers
- Preferred name
- BENZOIC ACID, o-BROMO-, 7-NITRO-8-QUINOLYL ESTER
- IUPAC
- (7-nitroquinolin-8-yl) 2-bromobenzoate
Names & synonyms
BENZOIC ACID, o-BROMO-, 7-NITRO-8-QUINOLYL ESTER29007-07-6BRN 15494028-Quinolinol, 7-nitro-, o-bromobenzoateo-Bromobenzoic acid 7-nitro-8-quinolyl ester7-nitroquinolin-8-yl 2-bromobenzoateSCHEMBL4470646DTXSID20183228
Database identifiers
- CAS
29007-07-6- PubChem CID
- 34422
- DTXSID
DTXSID20183228- Nikkaji
- J73.884K
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…