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127414-75-9 | 2-Anthracenesulfonic acid, 9,10-bis(phenylamino)-
CAS No: 127414-75-9 Catalog No: AG000X1S MDL No:
Product Description
Catalog Number:
AG000X1S
Chemical Name:
2-Anthracenesulfonic acid, 9,10-bis(phenylamino)-
CAS Number:
127414-75-9
Molecular Formula:
C26H20N2O3S
Molecular Weight:
440.5136
IUPAC Name:
9,10-dianilinoanthracene-2-sulfonic acid
InChI:
InChI=1S/C26H20N2O3S/c29-32(30,31)20-15-16-23-24(17-20)26(28-19-11-5-2-6-12-19)22-14-8-7-13-21(22)25(23)27-18-9-3-1-4-10-18/h1-17,27-28H,(H,29,30,31)
InChI Key:
HDBKUJBDEABRQM-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)c1ccc2c(c1)c(Nc1ccccc1)c1c(c2Nc2ccccc2)cccc1
Properties
Complexity:
711
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.119g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
440.517g/mol
Monoisotopic Mass:
440.119g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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