Basic information
- CAS
1370347-51-5- Standard SMILES
C[C@H](OS(C)(=O)=O)c1c(Cl)cncc1Cl- InChIKey
FTNBZNPYGMRMCX-YFKPBYRVSA-N- Molecular formula
- C8H9Cl2NO3S
- Average molar mass
- 270.13 g/mol
- Monoisotopic mass
- 268.96801951
Names & identifiers
- Preferred name
- (S)-1-(3,5-Dichloropyridin-4-yl)ethyl methanesulfonate
- IUPAC
- [(1S)-1-(3,5-dichloro-4-pyridinyl)ethyl] methanesulfonate
Names & synonyms
1370347-51-5(1S)-1-(3,5-dichloropyridin-4-yl)ethyl methanesulfonate(S)-1-(3,5-Dichloropyridin-4-yl)ethyl methanesulfonate4-Pyridinemethanol, 3,5-dichloro-alpha-methyl-, 4-methanesulfonate, (alphaS)-SCHEMBL891603FTNBZNPYGMRMCX-YFKPBYRVSA-NDTXSID001155656[(1S)-1-(3,5-dichloropyridin-4-yl)ethyl] methanesulfonate4-Pyridinemethanol, 3,5-dichloro-|A-methyl-, 4-methanesulfonate, (|AS)-4-Pyridinemethanol, 3,5-dichloro-I+/--methyl-, 4-methanesulfonate, (I+/-S)-
Database identifiers
- CAS
1370347-51-5- PubChem CID
- 86647459
- DTXSID
DTXSID001155656
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 293
Related reactions
4 records
Compound notes
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