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Home > Nitro Compounds > 189572-22-3
189572-22-3 | 9,10-Anthracenedione, 1-(2-nitrosohydrazinyl)-2-(phenylthio)-
CAS No: 189572-22-3 Catalog No: AG002DRB MDL No:
Product Description
Catalog Number:
AG002DRB
Chemical Name:
9,10-Anthracenedione, 1-(2-nitrosohydrazinyl)-2-(phenylthio)-
CAS Number:
189572-22-3
Molecular Formula:
C20H13N3O3S
Molecular Weight:
375.4005
IUPAC Name:
N-(9,10-dihydroxy-2-phenylsulfanylanthracen-1-yl)iminonitrous amide
InChI:
InChI=1S/C20H13N3O3S/c24-19-13-8-4-5-9-14(13)20(25)17-15(19)10-11-16(18(17)21-22-23-26)27-12-6-2-1-3-7-12/h1-11,24-25H
InChI Key:
RDKNCSKADUGAPD-UHFFFAOYSA-N
SMILES:
O=NNNc1c(ccc2c1C(=O)c1ccccc1C2=O)Sc1ccccc1
Properties
Complexity:
543
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.068g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
375.402g/mol
Monoisotopic Mass:
375.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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