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1784-98-1

1784-98-1 | 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(4-chlorophenyl)-

CAS No: 1784-98-1 Catalog No: AG002604 MDL No:

Product Description

Catalog Number:
AG002604
Chemical Name:
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(4-chlorophenyl)-
CAS Number:
1784-98-1
Molecular Formula:
C21H12Cl3N3O3
Molecular Weight:
460.6973
IUPAC Name:
1,3,5-tris(4-chlorophenyl)-1,3,5-triazinane-2,4,6-trione
InChI:
InChI=1S/C21H12Cl3N3O3/c22-13-1-7-16(8-2-13)25-19(28)26(17-9-3-14(23)4-10-17)21(30)27(20(25)29)18-11-5-15(24)6-12-18/h1-12H
InChI Key:
KSDJQIFGRDGQJC-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)n1c(=O)n(c2ccc(cc2)Cl)c(=O)n(c1=O)c1ccc(cc1)Cl

Properties

Complexity:
555  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
458.994g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
460.695g/mol
Monoisotopic Mass:
458.994g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9  

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