1-Chloro-2-[(2-methoxy-5-methylphenyl)sulfanyl]-3-nitrobenzene
Basic information
- CAS
5465-71-4- Standard SMILES
COc1ccc(C)cc1Sc1c(Cl)cccc1[N+](=O)[O-]- InChIKey
LKQRGFNOSCMXCZ-UHFFFAOYSA-N- Molecular formula
- C14H12ClNO3S
- Average molar mass
- 309.8 g/mol
- Monoisotopic mass
- 309.0226421
Names & identifiers
- Preferred name
- 1-Chloro-2-[(2-methoxy-5-methylphenyl)sulfanyl]-3-nitrobenzene
- IUPAC
- 1-chloro-2-(2-methoxy-5-methylphenyl)sulfanyl-3-nitrobenzene
Names & synonyms
5465-71-41-chloro-2-[(2-methoxy-5-methylphenyl)sulfanyl]-3-nitrobenzeneNSC25832DTXSID40282424NSC-25832
Database identifiers
- CAS
5465-71-4- PubChem CID
- 230692
- DTXSID
DTXSID40282424
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 339
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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