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Home > Indoles and Oxindole > 1253291-31-4
1253291-31-4 | Methanone, (1,3-dihydro-2H-isoindol-2-yl)(3-iodo-4-methoxyphenyl)-
CAS No: 1253291-31-4 Catalog No: AG000NHV MDL No:
Product Description
Catalog Number:
AG000NHV
Chemical Name:
Methanone, (1,3-dihydro-2H-isoindol-2-yl)(3-iodo-4-methoxyphenyl)-
CAS Number:
1253291-31-4
Molecular Formula:
C16H14INO2
Molecular Weight:
379.1923
IUPAC Name:
1,3-dihydroisoindol-2-yl-(3-iodo-4-methoxyphenyl)methanone
InChI:
InChI=1S/C16H14INO2/c1-20-15-7-6-11(8-14(15)17)16(19)18-9-12-4-2-3-5-13(12)10-18/h2-8H,9-10H2,1H3
InChI Key:
XQIMLVNMGFSNBY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1I)C(=O)N1Cc2c(C1)cccc2
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.007g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
379.197g/mol
Monoisotopic Mass:
379.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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