Basic information
- CAS
6332-40-7- Standard SMILES
COc1ccc(C)cc1Sc1ccc(Cl)cc1[N+](=O)[O-]- InChIKey
YPLRRSWEYCVLGG-UHFFFAOYSA-N- Molecular formula
- C14H12ClNO3S
- Average molar mass
- 309.8 g/mol
- Monoisotopic mass
- 309.0226421
Names & identifiers
- Preferred name
- 2-(4-Chloro-2-nitrophenyl)sulfanyl-1-methoxy-4-methylbenzene
- IUPAC
- 2-(4-chloro-2-nitrophenyl)sulfanyl-1-methoxy-4-methylbenzene
Names & synonyms
6332-40-7NSC258332-(4-chloro-2-nitrophenyl)sulfanyl-1-methoxy-4-methylbenzeneDTXSID00282425NSC-258332-[(4-CHLORO-2-NITROPHENYL)SULFANYL]-1-METHOXY-4-METHYLBENZENE
Database identifiers
- CAS
6332-40-7- PubChem CID
- 230693
- DTXSID
DTXSID00282425
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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