Basic information
- CAS
547-95-5- Standard SMILES
ClCCC[NH+]1CC1.O=[N+]([O-])c1cc([N+](=O)[O-])c(S(=O)(=O)[O-])c([N+](=O)[O-])c1- InChIKey
CODNXQDQAPZBMO-UHFFFAOYSA-N- Molecular formula
- C11H13ClN4O9S
- Average molar mass
- 412.76 g/mol
- Monoisotopic mass
- 412.0091769
Names & identifiers
- Preferred name
- Chlorimine picryl sulfonate
- IUPAC
- 1-(3-chloropropyl)aziridin-1-ium;2,4,6-trinitrobenzenesulfonate
Names & synonyms
Chlorimine picryl sulfonateMethyl-beta-chloroethyl-ethylenimonium picrylsulfonate1-Methyl-1-(beta-chloroethyl)ethylenimonium picrylsulfonate547-95-5DTXSID202031571-(2-Chloroethyl)-1-methylaziridinium 2,4,6-trinitrobenzenesulfonateAziridinium, 1-(2-chloroethyl)-1-methyl-, 2,4,6-trinitrobenzenesulfonateETHYLENIMONIUM, METHYL(2-CHLOROETHYL)-, PICRYLSULFONATERefChem:333668DTXCID201256481-(3-Chloropropyl)aziridin-1-ium 2,4,6-trinitrobenzene-1-sulfonate
Database identifiers
- CAS
547-95-5- PubChem CID
- 11044
- DTXSID
DTXSID20203157
Properties
Computed structural properties
- Topological polar surface area
- 207 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 509
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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