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Home > Fluorides > 1313738-90-7
1313738-90-7 | 2-Anthracenesulfonamide, 9,10-dihydro-3,4-dihydroxy-9,10-dioxo-N-[4-(trifluoromethyl)phenyl]-
CAS No: 1313738-90-7 Catalog No: AG000W1P MDL No:
Product Description
Catalog Number:
AG000W1P
Chemical Name:
2-Anthracenesulfonamide, 9,10-dihydro-3,4-dihydroxy-9,10-dioxo-N-[4-(trifluoromethyl)phenyl]-
CAS Number:
1313738-90-7
Molecular Formula:
C21H12F3NO6S
Molecular Weight:
463.3833
IUPAC Name:
3,4-dihydroxy-9,10-dioxo-N-[4-(trifluoromethyl)phenyl]anthracene-2-sulfonamide
InChI:
InChI=1S/C21H12F3NO6S/c22-21(23,24)10-5-7-11(8-6-10)25-32(30,31)15-9-14-16(20(29)19(15)28)18(27)13-4-2-1-3-12(13)17(14)26/h1-9,25,28-29H
InChI Key:
XKVNBCMGEUDKNP-UHFFFAOYSA-N
SMILES:
Oc1c(O)c2C(=O)c3ccccc3C(=O)c2cc1S(=O)(=O)Nc1ccc(cc1)C(F)(F)F
Properties
Complexity:
849
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
463.034g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
463.383g/mol
Monoisotopic Mass:
463.034g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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