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61599-79-9 | Ethanone, 1-(6-iodo-1,3-benzodioxol-5-yl)-
CAS No: 61599-79-9 Catalog No: AG00F4XT MDL No:
Product Description
Catalog Number:
AG00F4XT
Chemical Name:
Ethanone, 1-(6-iodo-1,3-benzodioxol-5-yl)-
CAS Number:
61599-79-9
IUPAC Name:
1-(6-iodo-1,3-benzodioxol-5-yl)ethanone
InChI:
InChI=1S/C9H7IO3/c1-5(11)6-2-8-9(3-7(6)10)13-4-12-8/h2-3H,4H2,1H3
InChI Key:
YANLLDSDLADEEO-UHFFFAOYSA-N
NSC Number:
283795
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.944g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.056g/mol
Monoisotopic Mass:
289.944g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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