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88371-96-4 | 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-bis(4-bromobutyl)-5,5-diethyl-
CAS No: 88371-96-4 Catalog No: AG004G0P MDL No:
Product Description
Catalog Number:
AG004G0P
Chemical Name:
2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-bis(4-bromobutyl)-5,5-diethyl-
CAS Number:
88371-96-4
Molecular Formula:
C16H26Br2N2O3
Molecular Weight:
454.1972
IUPAC Name:
1,3-bis(4-bromobutyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C16H26Br2N2O3/c1-3-16(4-2)13(21)19(11-7-5-9-17)15(23)20(14(16)22)12-8-6-10-18/h3-12H2,1-2H3
InChI Key:
RDRMMPPEWUIZCA-UHFFFAOYSA-N
SMILES:
BrCCCCN1C(=O)N(CCCCBr)C(=O)C(C1=O)(CC)CC
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
454.029g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
454.203g/mol
Monoisotopic Mass:
452.031g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
57.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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