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89084-93-5 | Acetyl chloride, [(5,7-diiodo-2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]-
CAS No: 89084-93-5 Catalog No: AG008793 MDL No:
Product Description
Catalog Number:
AG008793
Chemical Name:
Acetyl chloride, [(5,7-diiodo-2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]-
CAS Number:
89084-93-5
Molecular Formula:
C11H9ClI2O4
Molecular Weight:
494.4487
IUPAC Name:
2-[(5,7-diiodo-2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]acetyl chloride
InChI:
InChI=1S/C11H9ClI2O4/c1-11(2)17-9-6(14)3-5(13)8(10(9)18-11)16-4-7(12)15/h3H,4H2,1-2H3
InChI Key:
LXQXJBYRSCHLRN-UHFFFAOYSA-N
SMILES:
ClC(=O)COc1c(I)cc(c2c1OC(O2)(C)C)I
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
493.828g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
494.448g/mol
Monoisotopic Mass:
493.828g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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