Acetic acid, ((2-nitrophenyl)sulfinyl)-, methyl ester
Basic information
- CAS
139326-42-4- Standard SMILES
COC(=O)CS(=O)c1ccccc1[N+](=O)[O-]- InChIKey
MJCRVNLFBAINLZ-UHFFFAOYSA-N- Molecular formula
- C9H9NO5S
- Average molar mass
- 243.24 g/mol
- Monoisotopic mass
- 243.02014356
Names & identifiers
- Preferred name
- Acetic acid, ((2-nitrophenyl)sulfinyl)-, methyl ester
- IUPAC
- methyl 2-(2-nitrophenyl)sulfinylacetate
Names & synonyms
139326-42-4Acetic acid, ((2-nitrophenyl)sulfinyl)-, methyl ester(2-Nitrophenyl)sulfinyl acetic acid methyl esterDTXSID40875870AKOS002688520Methyl (2-nitrobenzene-1-sulfinyl)acetate2-Nitrophenylsulfinyl-acetic acid, methyl ester
Database identifiers
- CAS
139326-42-4- PubChem CID
- 1543532
- DTXSID
DTXSID40875870- Nikkaji
- J696.261K
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 301
Experimental & physicochemical properties
LogP0.98
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Related reactions
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Compound notes
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