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84000-70-4 | Anthra[2,1-d]oxazole-6,11-dione,2,2'-[azobis([1,1'-biphenyl]-4',4-diyl)]bis- (9CI)
CAS No: 84000-70-4 Catalog No: AG005233 MDL No:
Product Description
Catalog Number:
AG005233
Chemical Name:
Anthra[2,1-d]oxazole-6,11-dione,2,2'-[azobis([1,1'-biphenyl]-4',4-diyl)]bis- (9CI)
CAS Number:
84000-70-4
Molecular Formula:
C54H28N4O6
Molecular Weight:
828.8233
IUPAC Name:
2-[4-[4-[[4-[4-(6,11-dioxonaphtho[2,3-g][1,3]benzoxazol-2-yl)phenyl]phenyl]diazenyl]phenyl]phenyl]naphtho[2,3-g][1,3]benzoxazole-6,11-dione
InChI:
InChI=1S/C54H28N4O6/c59-47-37-5-1-3-7-39(37)49(61)45-41(47)25-27-43-51(45)63-53(55-43)33-13-9-29(10-14-33)31-17-21-35(22-18-31)57-58-36-23-19-32(20-24-36)30-11-15-34(16-12-30)54-56-44-28-26-42-46(52(44)64-54)50(62)40-8-4-2-6-38(40)48(42)60/h1-28H
InChI Key:
BUKOFNJUWJAAPU-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(=O)c2c1c1oc(nc1cc2)c1ccc(cc1)c1ccc(cc1)N=Nc1ccc(cc1)c1ccc(cc1)c1nc2c(o1)c1C(=O)c3ccccc3C(=O)c1cc2
EC Number:
281-626-3
Properties
Complexity:
1650
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
828.201g/mol
Formal Charge:
0
Heavy Atom Count:
64
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
828.84g/mol
Monoisotopic Mass:
828.201g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.8
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