5-Chloro-6-{[(methylcarbamoyl)oxy]imino}bicyclo[2.2.1]heptane-2-carbonitrile
Basic information
- CAS
118-43-4- Standard SMILES
CNC(=O)ON=C1C(Cl)C2CC(C#N)C1C2- InChIKey
QCQPGRMMDFIQMB-UHFFFAOYSA-N- Molecular formula
- C10H12ClN3O2
- Average molar mass
- 241.67 g/mol
- Monoisotopic mass
- 241.0618043
Names & identifiers
- Preferred name
- 5-Chloro-6-{[(methylcarbamoyl)oxy]imino}bicyclo[2.2.1]heptane-2-carbonitrile
- IUPAC
- [(3-chloro-6-cyano-2-bicyclo[2.2.1]heptanylidene)amino] N-methylcarbamate
- English name
- 5-Chloro-6-[[(methylaminocarbonyl)oxy]imino]bicyclo[2.2.1]heptane-2-carbonitrile
- Molecular formula
- C10H12ClN3O2
- Molecular weight
- 241.67
Names & synonyms
SCHEMBL11491622DTXSID50860156118-43-45-chloro-6-[[[(methylamino) carbonyl]oxy]imino]bicyclo [2.2.1]heptane-2-carbonitrile5-Chloro-6-[[[(methylamino)carbonyl]oxy]imino]-bicyclo[2.2.1]heptane-2-carbonitrile5-Chloro-6-{[(methylcarbamoyl)oxy]imino}bicyclo[2.2.1]heptane-2-carbonitrileENT-259625-Chloro-6-(methylcarbamoyloxyimino)-2-norbornanecarbonitrile5-Chloro-6-[[(methylcarbamoyl)oxy]imino]norbornane-2-carbonitrile5-Chloro-6-[[(methylaminocarbonyl)oxy]imino]bicyclo[2.2.1]heptane-2-carbonitrileBicyclo[2.2.1]heptane-2-carbonitrile, 5-chloro-6-[[[(methylamino)carbonyl]oxy]imino]- (9CI)
Database identifiers
- CAS
118-43-4- PubChem CID
- 206594
- DTXSID
DTXSID50860156
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 74.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 387
Physicochemical properties
- Density
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- pka
- 14.22 · 14.22±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…