Basic information
- CAS
29007-12-3- Standard SMILES
O=C(Oc1c([N+](=O)[O-])ccc2cccnc12)c1c(Cl)cccc1[N+](=O)[O-]- InChIKey
YIGVNCLQTSDIOW-UHFFFAOYSA-N- Molecular formula
- C16H8ClN3O6
- Average molar mass
- 373.7 g/mol
- Monoisotopic mass
- 373.0101627
Names & identifiers
- Preferred name
- Benzoic acid, 2-chloro-6-nitro-, 7-nitro-8-quinolinyl ester
- IUPAC
- (7-nitroquinolin-8-yl) 2-chloro-6-nitrobenzoate
Names & synonyms
BRN 1555818Benzoic acid, 2-chloro-6-nitro-, 7-nitro-8-quinolinyl ester8-Quinolinol, 7-nitro-, 2-chloro-6-nitrobenzoate29007-12-3DTXSID70183233RefChem:326855DTXCID80105724SCHEMBL44550737-Nitroquinolin-8-yl 2-chloro-6-nitrobenzoate
Database identifiers
- CAS
29007-12-3- PubChem CID
- 206992
- DTXSID
DTXSID70183233
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 565
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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