Basic information
- CAS
70186-33-3- Standard SMILES
CCOC(=O)c1cn(CC)c2cc(Cl)c([N+](=O)[O-])cc2c1=O- InChIKey
FDZUDEZZPLTYAJ-UHFFFAOYSA-N- Molecular formula
- C14H13ClN2O5
- Average molar mass
- 324.71 g/mol
- Monoisotopic mass
- 324.0512992
Names & identifiers
- Preferred name
- Ethyl 7-chloro-1-ethyl-6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate
- IUPAC
- ethyl 7-chloro-1-ethyl-6-nitro-4-oxoquinoline-3-carboxylate
- English name
- Ethyl 7-chloro-1-ethyl-6-nitro-4-oxo-1,4-dihydro-3-quinolinecarboxylate
- Molecular formula
- C14H13ClN2O5
- Molecular weight
- 324.72
Names & synonyms
70186-33-3ethyl 7-chloro-1-ethyl-6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylateDTXSID80347309RefChem:344635DTXCID20298381Ethyl 7-chloro-1-ethyl-6-nitro-4-oxo-1,4-dihydro-3-quinolinecarboxylateethyl 7-chloro-1-ethyl-6-nitro-4-oxoquinoline-3-carboxylateMFCD010906543-quinolinecarboxylic acid, 7-chloro-1-ethyl-1,4-dihydro-6-nitro-4-oxo-, ethyl esterethyl 7-chloro-1-ethyl-6-nitro-4-oxohydroquinoline-3-carboxylateOprea1_736396MLS000586064
Show more names
ZERO/001411SMR000204427ZINC00039133Ethyl 7-chloro-1-ethethyl 7-chloro-1-ethyl-6-nitro-4-oxo-quinoline-3-carboxylate7-chloro-1-ethyl-6-nitro-4-oxo-3-quinolinecarboxylic acid ethyl ester7-chloro-1-ethyl-4-keto-6-nitro-quinoline-3-carboxylic acid ethyl ester
CHEMBL1569999FDZUDEZZPLTYAJ-UHFFFAOYSA-NHMS2523A09ALBB-027716SBB001517STK760069AKOS001748585SB72178
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 516
Physicochemical properties
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers2 total
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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