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6952-88-1 | 1,4-Dioxane,2,5-bis(iodomethyl)-2,5-dimethyl-, cis- (9CI)
CAS No: 6952-88-1 Catalog No: AG005KWM MDL No:
Product Description
Catalog Number:
AG005KWM
Chemical Name:
1,4-Dioxane,2,5-bis(iodomethyl)-2,5-dimethyl-, cis- (9CI)
CAS Number:
6952-88-1
Molecular Formula:
C8H14I2O2
Molecular Weight:
396.0045
IUPAC Name:
(2R,5R)-2,5-bis(iodomethyl)-2,5-dimethyl-1,4-dioxane
InChI:
InChI=1S/C8H14I2O2/c1-7(3-9)5-12-8(2,4-10)6-11-7/h3-6H2,1-2H3/t7-,8-/m0/s1
InChI Key:
ZFJOCMDMXPIRAY-YUMQZZPRSA-N
SMILES:
IC[C@]1(C)OC[C@](OC1)(C)CI
NSC Number:
70843
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
395.908g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
396.007g/mol
Monoisotopic Mass:
395.908g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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