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144154-99-4 | 9(10H)-Acridinone, 1-(acetyloxy)-7-chloro-3-(3,4-dichlorophenyl)-
CAS No: 144154-99-4 Catalog No: AG001J0I MDL No:
Product Description
Catalog Number:
AG001J0I
Chemical Name:
9(10H)-Acridinone, 1-(acetyloxy)-7-chloro-3-(3,4-dichlorophenyl)-
CAS Number:
144154-99-4
Molecular Formula:
C21H12Cl3NO3
Molecular Weight:
432.6839
IUPAC Name:
[7-chloro-3-(3,4-dichlorophenyl)-9-oxo-10H-acridin-1-yl] acetate
InChI:
InChI=1S/C21H12Cl3NO3/c1-10(26)28-19-8-12(11-2-4-15(23)16(24)6-11)7-18-20(19)21(27)14-9-13(22)3-5-17(14)25-18/h2-9H,1H3,(H,25,27)
InChI Key:
ALXMMLYNUKBGMV-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cc(cc2c1c(=O)c1c([nH]2)ccc(c1)Cl)c1ccc(c(c1)Cl)Cl
Properties
Complexity:
618
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.988g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
432.681g/mol
Monoisotopic Mass:
430.988g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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