1-Ethoxy-2-(methylsulfanyl)-4-nitrobenzene
Basic information
- CAS
60658-36-8- Standard SMILES
CCOc1ccc([N+](=O)[O-])cc1SC- InChIKey
BBLRAGFOIQZQIP-UHFFFAOYSA-N- Molecular formula
- C9H11NO3S
- Average molar mass
- 213.26 g/mol
- Monoisotopic mass
- 213.04596439
Names & identifiers
- Preferred name
- 1-Ethoxy-2-(methylsulfanyl)-4-nitrobenzene
- IUPAC
- 1-ethoxy-2-methylsulfanyl-4-nitrobenzene
- English name
- Benzene, 1-ethoxy-2-(methylthio)-4-nitro- (9CI)
- Molecular formula
- C9H11NO3S
- Molecular weight
- 213.25
Names & synonyms
60658-36-81-Ethoxy-2-(methylsulfanyl)-4-nitrobenzeneBENZENE, 1-ETHOXY-2-(METHYLTHIO)-4-NITRO-DTXSID80667276DB-325821Benzene, 1-ethoxy-2-(methylthio)-4-nitro- (9CI)
Database identifiers
- CAS
60658-36-8- PubChem CID
- 45094331
- DTXSID
DTXSID80667276
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 195
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Compound notes
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