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Home > Nitro Compounds > 827303-17-3
827303-17-3 | Acridine, 2,7-dimethoxy-9-[[(4-nitrophenyl)methyl]sulfinyl]-
CAS No: 827303-17-3 Catalog No: AG0059FN MDL No:
Product Description
Catalog Number:
AG0059FN
Chemical Name:
Acridine, 2,7-dimethoxy-9-[[(4-nitrophenyl)methyl]sulfinyl]-
CAS Number:
827303-17-3
Molecular Formula:
C22H18N2O5S
Molecular Weight:
422.4537
IUPAC Name:
2,7-dimethoxy-9-[(4-nitrophenyl)methylsulfinyl]acridine
InChI:
InChI=1S/C22H18N2O5S/c1-28-16-7-9-20-18(11-16)22(19-12-17(29-2)8-10-21(19)23-20)30(27)13-14-3-5-15(6-4-14)24(25)26/h3-12H,13H2,1-2H3
InChI Key:
CITQWVKNUSPDGX-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(S(=O)Cc1ccc(cc1)[N+](=O)[O-])c1c(n2)ccc(c1)OC
NSC Number:
699936
Properties
Complexity:
593
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.094g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
422.455g/mol
Monoisotopic Mass:
422.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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