Urea, N'-bicyclo(2.2.1)hept-2-yl-N-(2-fluoroethyl)-N-nitroso-
Basic information
- CAS
13908-95-7- Standard SMILES
O=NN(CCF)C(=O)NC1CC2CCC1C2- InChIKey
LESTWYVGWLZSMR-UHFFFAOYSA-N- Molecular formula
- C10H16FN3O2
- Average molar mass
- 229.25 g/mol
- Monoisotopic mass
- 229.12265492
Names & identifiers
- Preferred name
- Urea, N'-bicyclo(2.2.1)hept-2-yl-N-(2-fluoroethyl)-N-nitroso-
- IUPAC
- 3-(2-bicyclo[2.2.1]heptanyl)-1-(2-fluoroethyl)-1-nitrosourea
- English name
- N'-(Bicyclo[2.2.1]heptan-2-yl)-N-(2-fluoroethyl)-N-nitrosourea
- Molecular formula
- C10H16FN3O2
- Molecular weight
- 229.25
Names & synonyms
13908-95-71-(2-Fluoroethyl)-3-(2-norbornyl)-1-nitrosoureaNSC 93492BRN 2860912AI3-527871-(2-Fluoroethyl)-1-nitroso-3-(2-norbornyl)ureaUrea, 1-(2-fluoroethyl)-1-nitroso-3-(2-norbornyl)-N'-Bicyclo(2.2.1)hept-2-yl-N-(2-fluoroethyl)-N-nitrosoureaUrea, N'-bicyclo(2.2.1)hept-2-yl-N-(2-fluoroethyl)-N-nitroso-Urea, N'-bicyclo[2.2.1]hept-2-yl-N-(2-fluoroethyl)-N-nitroso-RefChem:387709Urea, N'-bicyclo(2.2.1)hept-2-yl-N-(2-fluoroethyl)-N-nitroso-(9CI)
Show more names
Reaxys ID: 28609121-(2-Fluoroethyl)-1-nitroso-3-(norbornan-2-yl)urea
N'-(Bicyclo[2.2.1]heptan-2-yl)-N-(2-fluoroethyl)-N-nitrosoureaNSC93492NCIOpen2_005789CHEMBL12792DTXSID709303203-(2-bicyclo[2.2.1]heptanyl)-1-(2-fluoroethyl)-1-nitrosoureaN/'-(Bicyclo[2.2.1]heptan-2-yl)-N-(2-fluoroethyl)-N-nitrosoureaNSC-93492
Database identifiers
- CAS
13908-95-7- PubChem CID
- 98254
- DTXSID
DTXSID70930320- ChEMBL
CHEMBL12792- Nikkaji
- J48.932H
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 287
Physicochemical properties
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- pka
- 10.86 · 10.86±0.20(Predicted)
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Compound notes
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