3-Cyano-4,6-dimethyl-2-pyridinyl 2-chloro-4-(methylsulfonyl)benzenecarboxylate
Basic information
- CAS
338421-40-2- Standard SMILES
Cc1cc(C)c(C#N)c(OC(=O)c2ccc(S(C)(=O)=O)cc2Cl)n1- InChIKey
MMGYSHNYTDHJND-UHFFFAOYSA-N- Molecular formula
- C16H13ClN2O4S
- Average molar mass
- 364.8 g/mol
- Monoisotopic mass
- 364.0284558
Names & identifiers
- Preferred name
- 3-Cyano-4,6-dimethyl-2-pyridinyl 2-chloro-4-(methylsulfonyl)benzenecarboxylate
- IUPAC
- (3-cyano-4,6-dimethyl-2-pyridinyl) 2-chloro-4-methylsulfonylbenzoate
Names & synonyms
338421-40-23-cyano-4,6-dimethyl-2-pyridinyl 2-chloro-4-(methylsulfonyl)benzenecarboxylate(3-cyano-4,6-dimethylpyridin-2-yl) 2-chloro-4-methylsulfonylbenzoate3-Cyano-4,6-dimethylpyridin-2-yl 2-chloro-4-(methylsulfonyl)benzoateOprea1_341553DTXSID701160791AKOS0050913724H-375S3-cyano-4,6-dimethylpyridin-2-yl 2-chloro-4-methanesulfonylbenzoate3-Cyano-4,6-dimethyl-2-pyridinyl 2-chloro-4-(methylsulfonyl)benzoate3-Cyano-4,6-dimethylpyridin-2-yl 2-chloro-4-(methanesulfonyl)benzoate
Database identifiers
- CAS
338421-40-2- PubChem CID
- 1476071
- DTXSID
DTXSID701160791
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 624
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Compound notes
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