Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)[O-])c(-c2ccc(C#N)cc2)c1- InChIKey
QDYHBEVGXYWGTG-UHFFFAOYSA-M- Molecular formula
- C14H10NO3S-
- Average molar mass
- 272.3 g/mol
- Monoisotopic mass
- 272.03813935
Names & identifiers
- Preferred name
- 4-Cyanophenyltosylate
- IUPAC
- 2-(4-cyanophenyl)-4-methylbenzenesulfonate
Names & synonyms
4-CyanophenyltosylateQDYHBEVGXYWGTG-UHFFFAOYSA-M
Database identifiers
- PubChem CID
- 21997060
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 89.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- -1
- Complexity
- 437
Related reactions
1 records
Compound notes
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