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88601-47-2 | 9,10-Anthracenedione, 1,4,5,8-tetraamino-2,7-bis(4-phenoxyphenoxy)-
CAS No: 88601-47-2 Catalog No: AG004ANF MDL No:
Product Description
Catalog Number:
AG004ANF
Chemical Name:
9,10-Anthracenedione, 1,4,5,8-tetraamino-2,7-bis(4-phenoxyphenoxy)-
CAS Number:
88601-47-2
Molecular Formula:
C38H28N4O6
Molecular Weight:
636.6521
IUPAC Name:
1,4,5,8-tetraamino-2,7-bis(4-phenoxyphenoxy)anthracene-9,10-dione
InChI:
InChI=1S/C38H28N4O6/c39-27-19-29(47-25-15-11-23(12-16-25)45-21-7-3-1-4-8-21)35(41)33-31(27)37(43)32-28(40)20-30(36(42)34(32)38(33)44)48-26-17-13-24(14-18-26)46-22-9-5-2-6-10-22/h1-20H,39-42H2
InChI Key:
SCZQMULBRWNHOX-UHFFFAOYSA-N
SMILES:
O=C1c2c(N)c(Oc3ccc(cc3)Oc3ccccc3)cc(c2C(=O)c2c1c(N)c(Oc1ccc(cc1)Oc1ccccc1)cc2N)N
Properties
Complexity:
1000
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
636.201g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
636.664g/mol
Monoisotopic Mass:
636.201g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
175A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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