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18038-98-7 | 9,10-Anthracenedione, 6,7-dichloro-1,4-bis[(2,4,6-trimethylphenyl)amino]-
CAS No: 18038-98-7 Catalog No: AG0021Y6 MDL No:
Product Description
Catalog Number:
AG0021Y6
Chemical Name:
9,10-Anthracenedione, 6,7-dichloro-1,4-bis[(2,4,6-trimethylphenyl)amino]-
CAS Number:
18038-98-7
Molecular Formula:
C32H28Cl2N2O2
Molecular Weight:
543.4829
IUPAC Name:
6,7-dichloro-1,4-bis(2,4,6-trimethylanilino)anthracene-9,10-dione
InChI:
InChI=1S/C32H28Cl2N2O2/c1-15-9-17(3)29(18(4)10-15)35-25-7-8-26(36-30-19(5)11-16(2)12-20(30)6)28-27(25)31(37)21-13-23(33)24(34)14-22(21)32(28)38/h7-14,35-36H,1-6H3
InChI Key:
CJKCVIQDKUVJTL-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C)Nc1ccc(c2c1C(=O)c1cc(Cl)c(cc1C2=O)Cl)Nc1c(C)cc(cc1C)C
EC Number:
241-947-1
Properties
Complexity:
790
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
542.153g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
543.488g/mol
Monoisotopic Mass:
542.153g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.5
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