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85179-70-0 | Cyclohexanone, 2,6-bis[(4-azidophenyl)methylene]-4-(hydroxymethyl)-
CAS No: 85179-70-0 Catalog No: AG004QO8 MDL No:
Product Description
Catalog Number:
AG004QO8
Chemical Name:
Cyclohexanone, 2,6-bis[(4-azidophenyl)methylene]-4-(hydroxymethyl)-
CAS Number:
85179-70-0
Molecular Formula:
C21H18N6O2
Molecular Weight:
386.4066
IUPAC Name:
2,6-bis[(4-azidophenyl)methylidene]-4-(hydroxymethyl)cyclohexan-1-one
InChI:
InChI=1S/C21H18N6O2/c22-26-24-19-5-1-14(2-6-19)9-17-11-16(13-28)12-18(21(17)29)10-15-3-7-20(8-4-15)25-27-23/h1-10,16,28H,11-13H2
InChI Key:
OTXMSABUQSQAOY-UHFFFAOYSA-N
SMILES:
OCC1CC(=Cc2ccc(cc2)N=[N+]=[N-])C(=O)C(=Cc2ccc(cc2)N=[N+]=[N-])C1
Properties
Complexity:
687
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.149g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
386.415g/mol
Monoisotopic Mass:
386.149g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
6
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