Basic information
- CAS
368890-22-6- Standard SMILES
Cc1ccc(S(=O)(=O)OCc2nccc([N+](=O)[O-])c2C)cc1- InChIKey
RYVHJZPFBJSXJP-UHFFFAOYSA-N- Molecular formula
- C14H14N2O5S
- Average molar mass
- 322.34 g/mol
- Monoisotopic mass
- 322.06234272
Names & identifiers
- Preferred name
- (3-Methyl-4-nitropyridin-2-yl)methyl 4-methylbenzene-1-sulfonate
- IUPAC
- (3-methyl-4-nitro-2-pyridinyl)methyl 4-methylbenzenesulfonate
Names & synonyms
DTXSID201161718(3-methyl-4-nitropyridin-2-yl)methyl 4-methylbenzene-1-sulfonate368890-22-62-Pyridinemethanol, 3-methyl-4-nitro-, 2-(4-methylbenzenesulfonate)
Database identifiers
- CAS
368890-22-6- PubChem CID
- 16095906
- DTXSID
DTXSID201161718- Nikkaji
- J2.406.416F
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 476
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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