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850417-66-2 | 10H-Pyrimido[1,2-a][1,8]naphthyridin-10-one, 4,5,6,8,9-pentachloro-
CAS No: 850417-66-2 Catalog No: AG004ZUN MDL No:
Product Description
Catalog Number:
AG004ZUN
Chemical Name:
10H-Pyrimido[1,2-a][1,8]naphthyridin-10-one, 4,5,6,8,9-pentachloro-
CAS Number:
850417-66-2
Molecular Formula:
C11H2Cl5N3O
Molecular Weight:
369.4181
IUPAC Name:
4,5,6,8,9-pentachloropyrimido[1,2-a][1,8]naphthyridin-10-one
InChI:
InChI=1S/C11H2Cl5N3O/c12-3-1-2-17-9-4(3)5(13)6(14)10-18-8(16)7(15)11(20)19(9)10/h1-2H
InChI Key:
NWODMHAOOOKEHK-UHFFFAOYSA-N
SMILES:
Clc1nc2c(Cl)c(Cl)c3c(n2c(=O)c1Cl)nccc3Cl
Properties
Complexity:
585
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.861g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.407g/mol
Monoisotopic Mass:
366.864g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| 4,5,6,8,9-Pentachloropyrimido[1,2-a][1,8]naphthyridin-10-one. | Acta crystallographica. Section C, Crystal structure communications 20050101 |
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