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Home > Nitro Compounds > 75431-62-8
75431-62-8 | 5-Anilino-1,8-dihydroxy-2-nitroanthraquinone
CAS No: 75431-62-8 Catalog No: AG00GC3B MDL No:
Product Description
Catalog Number:
AG00GC3B
Chemical Name:
5-Anilino-1,8-dihydroxy-2-nitroanthraquinone
CAS Number:
75431-62-8
IUPAC Name:
(4aS,9aS)-1-anilino-4,5-dihydroxy-6-nitro-4a,9a-dihydroanthracene-9,10-dione
InChI:
InChI=1S/C20H14N2O6/c23-14-9-7-12(21-10-4-2-1-3-5-10)16-17(14)20(26)15-11(18(16)24)6-8-13(19(15)25)22(27)28/h1-9,16-17,21,23,25H/t16-,17-/m1/s1
InChI Key:
UIBGMITYPBEBJQ-IAGOWNOFSA-N
Properties
Complexity:
748
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
378.085g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
378.34g/mol
Monoisotopic Mass:
378.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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