Phenyl 2-[(2-nitrophenyl)sulfinyl]acetate
Basic information
- CAS
955971-21-8- Standard SMILES
O=C(CS(=O)c1ccccc1[N+](=O)[O-])Oc1ccccc1- InChIKey
NUHKGVWIJOCTHB-UHFFFAOYSA-N- Molecular formula
- C14H11NO5S
- Average molar mass
- 305.31 g/mol
- Monoisotopic mass
- 305.03579362
Names & identifiers
- Preferred name
- Phenyl 2-[(2-nitrophenyl)sulfinyl]acetate
- IUPAC
- phenyl 2-(2-nitrophenyl)sulfinylacetate
Names & synonyms
phenyl 2-[(2-nitrophenyl)sulfinyl]acetateDTXSID801272826AKOS002212060955971-21-8Phenyl (2-nitrobenzene-1-sulfinyl)acetateST50142802
Database identifiers
- CAS
955971-21-8- PubChem CID
- 698063
- DTXSID
DTXSID801272826
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 403
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Related reactions
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Compound notes
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