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2,6-bis[(4-azidophenyl)methylidene]cyclohexan-1-one

2,6-bis[(4-azidophenyl)methylidene]cyclohexan-1-one

CAS: 20237-98-3

Formula: C20H16N6O

SMILES: [N-]=[N+]=NC1=CC=C(C=C2CCCC(=CC3=CC=C(C=C3)N=[N+]=[N-])C2=O)C=C1

IUPAC: 2,6-bis[(4-azidophenyl)methylidene]cyclohexan-1-one

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

Composition: C (67.40%), H (4.53%), N (23.58%), O (4.49%)

Molar Mass: 356.389

Atom Count: 43

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 356.138559159
Formal Charge 0
FSP3 0.15
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey UZNOMHUYXSAUPB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 109.12
Topological Polar Surface Area 75.93
Polarizability 37.97
Ring Count 3
Rotatable Bond Count 4

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