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20237-98-3

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Basic Information
CAS No.: 20237-98-3
Name: 2,6-BIS(4-AZIDOBENZYLIDENE)CYCLOHEXANONE
Article Data: 5
Molecular Structure:
Molecular Structure of 20237-98-3 (2,6-BIS(4-AZIDOBENZYLIDENE)CYCLOHEXANONE)
Formula: C20H16N6O
Molecular Weight: 356.387
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
Melting Point: 140 °C
Solubility: Insoluble in water
PSA: 116.57000
LogP: 5.69572
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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