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167907-17-7 | 9,10-Anthracenedione, 2-[(2,6-dichlorophenyl)amino]-1,3,4-trifluoro-
CAS No: 167907-17-7 Catalog No: AG001XOT MDL No:
Product Description
Catalog Number:
AG001XOT
Chemical Name:
9,10-Anthracenedione, 2-[(2,6-dichlorophenyl)amino]-1,3,4-trifluoro-
CAS Number:
167907-17-7
Molecular Formula:
C20H8Cl2F3NO2
Molecular Weight:
422.1842
IUPAC Name:
2-(2,6-dichloroanilino)-1,3,4-trifluoroanthracene-9,10-dione
InChI:
InChI=1S/C20H8Cl2F3NO2/c21-10-6-3-7-11(22)17(10)26-18-15(24)13-12(14(23)16(18)25)19(27)8-4-1-2-5-9(8)20(13)28/h1-7,26H
InChI Key:
BYQNZZOGYRNJEW-UHFFFAOYSA-N
SMILES:
Fc1c(F)c(Nc2c(Cl)cccc2Cl)c(c2c1C(=O)c1c(C2=O)cccc1)F
Properties
Complexity:
629
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.988g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
422.184g/mol
Monoisotopic Mass:
420.988g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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