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890045-45-1 | 9H-Thioxanthen-9-one, 3-(4-aminophenyl)-, 10,10-dioxide
CAS No: 890045-45-1 Catalog No: AG0044WB MDL No:
Product Description
Catalog Number:
AG0044WB
Chemical Name:
9H-Thioxanthen-9-one, 3-(4-aminophenyl)-, 10,10-dioxide
CAS Number:
890045-45-1
Molecular Formula:
C19H13NO3S
Molecular Weight:
335.3764
IUPAC Name:
3-(4-aminophenyl)-10,10-dioxothioxanthen-9-one
InChI:
InChI=1S/C19H13NO3S/c20-14-8-5-12(6-9-14)13-7-10-16-18(11-13)24(22,23)17-4-2-1-3-15(17)19(16)21/h1-11H,20H2
InChI Key:
NZYPWOAZAUDTMN-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)c1ccc2c(c1)S(=O)(=O)c1c(C2=O)cccc1
Properties
Complexity:
588
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.062g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.377g/mol
Monoisotopic Mass:
335.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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