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143600-70-8 | Isoquinoline, 3,4-dihydro-1-(2-iodophenyl)-6,7-dimethoxy-
CAS No: 143600-70-8 Catalog No: AG007YPJ MDL No:
Product Description
Catalog Number:
AG007YPJ
Chemical Name:
Isoquinoline, 3,4-dihydro-1-(2-iodophenyl)-6,7-dimethoxy-
CAS Number:
143600-70-8
Molecular Formula:
C17H16INO2
Molecular Weight:
393.2189
IUPAC Name:
1-(2-iodophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
InChI:
InChI=1S/C17H16INO2/c1-20-15-9-11-7-8-19-17(13(11)10-16(15)21-2)12-5-3-4-6-14(12)18/h3-6,9-10H,7-8H2,1-2H3
InChI Key:
FPSCMKVRGNGMEU-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)CCN=C2c1ccccc1I
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.023g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
393.224g/mol
Monoisotopic Mass:
393.023g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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