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136961-48-3 | 1H-1,4-Diazonine, 1,4-bis(dichloroacetyl)octahydro- (9CI)
CAS No: 136961-48-3 Catalog No: AG0012LN MDL No:
Product Description
Catalog Number:
AG0012LN
Chemical Name:
1H-1,4-Diazonine, 1,4-bis(dichloroacetyl)octahydro- (9CI)
CAS Number:
136961-48-3
Molecular Formula:
C11H16Cl4N2O2
Molecular Weight:
350.0689
IUPAC Name:
2,2-dichloro-1-[4-(2,2-dichloroacetyl)-1,4-diazonan-1-yl]ethanone
InChI:
InChI=1S/C11H16Cl4N2O2/c12-8(13)10(18)16-4-2-1-3-5-17(7-6-16)11(19)9(14)15/h8-9H,1-7H2
InChI Key:
JSIYBLKMGFJKMH-UHFFFAOYSA-N
SMILES:
O=C(N1CCCCCN(CC1)C(=O)C(Cl)Cl)C(Cl)Cl
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.994g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.061g/mol
Monoisotopic Mass:
347.997g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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