Completing data — usually done within a minute
Basic information
- CAS
143323-43-7- Standard SMILES
CCOC(=O)c1c(Cl)nc(-c2ccccc2)c([N+](=O)[O-])c1C(=O)OCC- InChIKey
CNTCJVNYICGBNQ-UHFFFAOYSA-N- Molecular formula
- C17H15ClN2O6
- Average molar mass
- 378.8 g/mol
- Monoisotopic mass
- 378.06186388
Names & identifiers
- Preferred name
- 2-Chloro-3,4-diethoxycarbonyl-5-nitro-6-phenylpyridine
- IUPAC
- diethyl 2-chloro-5-nitro-6-phenylpyridine-3,4-dicarboxylate
Names & synonyms
SCHEMBL92652102-Chloro-3,4-diethoxycarbonyl-5-nitro-6-phenylpyridineCNTCJVNYICGBNQ-UHFFFAOYSA-NDTXSID101173467143323-43-72-chloro-3,4- diethoxycarbonyl-5-nitro-6-phenylpyridinediethyl 2-chloro-5-nitro-6-phenylpyridine-3,4-dicarboxylate3,4-Diethyl 2-chloro-5-nitro-6-phenyl-3,4-pyridinedicarboxylate
Database identifiers
- CAS
143323-43-7- PubChem CID
- 19935587
- DTXSID
DTXSID101173467
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 520
Related reactions
12 records
Compound notes
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