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144369-39-1 | 1,3-Benzodioxole-5-acetamide, 6-iodo-N-methoxy-N-methyl-
CAS No: 144369-39-1 Catalog No: AG001JF6 MDL No:
Product Description
Catalog Number:
AG001JF6
Chemical Name:
1,3-Benzodioxole-5-acetamide, 6-iodo-N-methoxy-N-methyl-
CAS Number:
144369-39-1
Molecular Formula:
C11H12INO4
Molecular Weight:
349.1217
IUPAC Name:
2-(6-iodo-1,3-benzodioxol-5-yl)-N-methoxy-N-methylacetamide
InChI:
InChI=1S/C11H12INO4/c1-13(15-2)11(14)4-7-3-9-10(5-8(7)12)17-6-16-9/h3,5H,4,6H2,1-2H3
InChI Key:
TWJBUPLIFFRHIQ-UHFFFAOYSA-N
SMILES:
CN(C(=O)Cc1cc2OCOc2cc1I)OC
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.981g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.124g/mol
Monoisotopic Mass:
348.981g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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