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15678-07-6 | 1,3,5-Trioxane, 2,4,6-tris(2-chloroethyl)-
CAS No: 15678-07-6 Catalog No: AG001P0A MDL No:
Product Description
Catalog Number:
AG001P0A
Chemical Name:
1,3,5-Trioxane, 2,4,6-tris(2-chloroethyl)-
CAS Number:
15678-07-6
Molecular Formula:
C9H15Cl3O3
Molecular Weight:
277.5726
IUPAC Name:
2,4,6-tris(2-chloroethyl)-1,3,5-trioxane
InChI:
InChI=1S/C9H15Cl3O3/c10-4-1-7-13-8(2-5-11)15-9(14-7)3-6-12/h7-9H,1-6H2
InChI Key:
UKIMZHHRUPEHRT-UHFFFAOYSA-N
SMILES:
ClCCC1OC(CCCl)OC(O1)CCCl
NSC Number:
78449
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.009g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.566g/mol
Monoisotopic Mass:
276.009g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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