Basic information
- CAS
145348-27-2- Standard SMILES
CC(C)OC(=O)C1(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1- InChIKey
WUAIGAOSYROCOI-UHFFFAOYSA-N- Molecular formula
- C13H15NO6S
- Average molar mass
- 313.33 g/mol
- Monoisotopic mass
- 313.06200837
Names & identifiers
- Preferred name
- Cyclopropanecarboxylic acid, 1-((4-nitrophenyl)sulfonyl)-, 1-methylethyl ester
- IUPAC
- propan-2-yl 1-(4-nitrophenyl)sulfonylcyclopropane-1-carboxylate
Names & synonyms
145348-27-2Cyclopropanecarboxylic acid, 1-((4-nitrophenyl)sulfonyl)-, 1-methylethyl esterDTXSID601629961-Methylethyl 1-((4-nitrophenyl)sulfonyl)cyclopropanecarboxylatePropan-2-yl 1-(4-nitrobenzene-1-sulfonyl)cyclopropane-1-carboxylate
Database identifiers
- CAS
145348-27-2- PubChem CID
- 86452
- DTXSID
DTXSID60162996- Nikkaji
- J667.556E
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 518
Experimental & physicochemical properties
LogP2.05
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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