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138883-35-9 | 1,3-Benzodioxole-5-carboxamide, N-(2-iodophenyl)-N-methyl-
CAS No: 138883-35-9 Catalog No: AG0019RC MDL No:
Product Description
Catalog Number:
AG0019RC
Chemical Name:
1,3-Benzodioxole-5-carboxamide, N-(2-iodophenyl)-N-methyl-
CAS Number:
138883-35-9
Molecular Formula:
C15H12INO3
Molecular Weight:
381.1651
IUPAC Name:
N-(2-iodophenyl)-N-methyl-1,3-benzodioxole-5-carboxamide
InChI:
InChI=1S/C15H12INO3/c1-17(12-5-3-2-4-11(12)16)15(18)10-6-7-13-14(8-10)20-9-19-13/h2-8H,9H2,1H3
InChI Key:
XQTUARBNZVKMIO-UHFFFAOYSA-N
SMILES:
O=C(N(c1ccccc1I)C)c1ccc2c(c1)OCO2
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.986g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
381.169g/mol
Monoisotopic Mass:
380.986g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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