Basic information
- Name:
Cyclohexanone,2,6-bis[(4-azidophenyl)methylene]-
- CAS No.:
20237-98-3
- Molecular Structure:
![Molecular Structure of 20237-98-3 (Cyclohexanone,2,6-bis[(4-azidophenyl)methylene]-)](http://www.lookchem.com/300w/2010/069/20237-98-3.jpg)
- Formula:
- C20H16N6O
- Molecular Weight:
- 356.38
- Synonyms:
- Cyclohexanone,2,6-bis(p-azidobenzylidene)- (6CI,8CI);2,6-Bis(4-azidobenzal)cyclohexanone;2,6-Bis(4-azidobenzylidene)cyclohexanone;2,6-Bis(4'-azidobenzal)cyclohexanone;2,6-Bis(4'-azidobenzyl)cyclohexanone;2,6-Bis(p-azidobenzylidene)cyclohexanone;2,6-Di(4-azidobenzal)cyclohexanone;2,6-Di(4'-azidobenzal)cyclohexanone;
- EINECS:
- 243-625-6
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Specification
The CAS register number of Cyclohexanone,2,6-bis[(4-azidophenyl)methylene]- is 20237-98-3. It also can be called as 2,6-Di(4'-azidobenzylidene)cyclohexanone and the systematic name about this chemical is (2E,6E)-2,6-bis[(4-azidophenyl)methylidene]cyclohexanone. The molecular formula about this chemical is C20H16N6O and the molecular weight is 356.38.
Physical properties about Cyclohexanone,2,6-bis[(4-azidophenyl)methylene]- are: (1)ACD/LogP: 6.76; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 7; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 41.79Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: [N-]=[N+]=N\c1ccc(cc1)\C=C3\C(=O)\C(=C\c2ccc(\N=[N+]=[N-])cc2)CCC3
(2)InChI: InChI=1/C20H16N6O/c21-25-23-18-8-4-14(5-9-18)12-16-2-1-3-17(20(16)27)13-15-6-10-19(11-7-15)24-26-22/h4-13H,1-3H2/b16-12+,17-13+
(3)InChIKey: UZNOMHUYXSAUPB-UNZYHPAIBK
(4)Std. InChI: InChI=1S/C20H16N6O/c21-25-23-18-8-4-14(5-9-18)12-16-2-1-3-17(20(16)27)13-15-6-10-19(11-7-15)24-26-22/h4-13H,1-3H2/b16-12+,17-13+
(5)Std. InChIKey: UZNOMHUYXSAUPB-UNZYHPAISA-N