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6963-59-3 | (2r,6s)-2,6-bis(iodomethyl)-1,4-dioxane
CAS No: 6963-59-3 Catalog No: AG0069JT MDL No:
Product Description
Catalog Number:
AG0069JT
Chemical Name:
(2r,6s)-2,6-bis(iodomethyl)-1,4-dioxane
CAS Number:
6963-59-3
Molecular Formula:
C6H10I2O2
Molecular Weight:
367.9513
IUPAC Name:
(2S,6R)-2,6-bis(iodomethyl)-1,4-dioxane
InChI:
InChI=1S/C6H10I2O2/c7-1-5-3-9-4-6(2-8)10-5/h5-6H,1-4H2/t5-,6+
InChI Key:
UYISQIRJYDOWOR-OLQVQODUSA-N
SMILES:
IC[C@@H]1COC[C@@H](O1)CI
NSC Number:
53700
Properties
Complexity:
89.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
367.877g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
367.953g/mol
Monoisotopic Mass:
367.877g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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