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296277-09-3 | 9H-Xanthene-3,6-diamine, N3,N3,N6,N6-tetramethyl-9-(2,3,4,5,6-pentafluorophenyl)-
CAS No: 296277-09-3 Catalog No: AG002YXQ MDL No:
Product Description
Catalog Number:
AG002YXQ
Chemical Name:
9H-Xanthene-3,6-diamine, N3,N3,N6,N6-tetramethyl-9-(2,3,4,5,6-pentafluorophenyl)-
CAS Number:
296277-09-3
Molecular Formula:
C23H19F5N2O
Molecular Weight:
434.4018
IUPAC Name:
3-N,3-N,6-N,6-N-tetramethyl-9-(2,3,4,5,6-pentafluorophenyl)-9H-xanthene-3,6-diamine
InChI:
InChI=1S/C23H19F5N2O/c1-29(2)11-5-7-13-15(9-11)31-16-10-12(30(3)4)6-8-14(16)17(13)18-19(24)21(26)23(28)22(27)20(18)25/h5-10,17H,1-4H3
InChI Key:
PJVIQSJYKHKPNN-UHFFFAOYSA-N
SMILES:
CN(c1ccc2c(c1)Oc1c(C2c2c(F)c(F)c(c(c2F)F)F)ccc(c1)N(C)C)C
Properties
Complexity:
577
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
434.142g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
434.41g/mol
Monoisotopic Mass:
434.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
15.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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