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88371-95-3 | 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-bis(6-chlorohexyl)-5,5-diethyl-
CAS No: 88371-95-3 Catalog No: AG004ITH MDL No:
Product Description
Catalog Number:
AG004ITH
Chemical Name:
2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-bis(6-chlorohexyl)-5,5-diethyl-
CAS Number:
88371-95-3
Molecular Formula:
C20H34Cl2N2O3
Molecular Weight:
421.4016
IUPAC Name:
1,3-bis(6-chlorohexyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C20H34Cl2N2O3/c1-3-20(4-2)17(25)23(15-11-7-5-9-13-21)19(27)24(18(20)26)16-12-8-6-10-14-22/h3-16H2,1-2H3
InChI Key:
OVHNLDZDDHOSAD-UHFFFAOYSA-N
SMILES:
ClCCCCCCN1C(=O)N(CCCCCCCl)C(=O)C(C1=O)(CC)CC
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.195g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
421.403g/mol
Monoisotopic Mass:
420.195g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
57.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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