Basic information
- CAS
53460-81-4- Standard SMILES
O=[N+]([O-])c1ccccc1C1OCC(CCl)O1- InChIKey
LQLVIUVTQZTSAJ-UHFFFAOYSA-N- Molecular formula
- C10H10ClNO4
- Average molar mass
- 243.64 g/mol
- Monoisotopic mass
- 243.0298355
Names & identifiers
- Preferred name
- 4-(Chloromethyl)-2-(2-nitrophenyl)-1,3-dioxolane
- IUPAC
- 4-(chloromethyl)-2-(2-nitrophenyl)-1,3-dioxolane
- English name
- 4-Chloromethyl-2-(2-nitrophenyl)-1,3-dioxolane
- Molecular formula
- C10H10ClNO4
- Molecular weight
- 243.64
Names & synonyms
4-(chloromethyl)-2-(2-nitrophenyl)-1,3-dioxolane53460-81-41,3-DIOXOLANE, 4-(CHLOROMETHYL)-2-(o-NITROPHENYL)-LP26RZW9LYDTXSID50968166RefChem:1070061DTXCID0013957534-(Chloromethyl)-2-(o-nitrophenyl)-1,3-dioxolane4-Chloromethyl-2-(2-nitrophenyl)-1,3-dioxolaneDB-3058601,3-Dioxolane, 4-(chloromethyl)-2-(2-nitrophenyl)-
Database identifiers
- CAS
53460-81-4- PubChem CID
- 40776
- DTXSID
DTXSID50968166- UNII
- LP26RZW9LY
- Nikkaji
- J83.701F
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- Boiling point
- 363.4 · 363.4±42.0 °C(Predicted)
- Density
- 1.372 · 1.3720 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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