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148870-57-9 | 7,8-Dimethoxy-3-(3-iodopropyl);-1,3-dihydro-2H-3-benzazepin-2-one
CAS No: 148870-57-9 Catalog No: AG007JBI MDL No:MFCD09955403
Product Description
Catalog Number:
AG007JBI
Chemical Name:
7,8-Dimethoxy-3-(3-iodopropyl);-1,3-dihydro-2H-3-benzazepin-2-one
CAS Number:
148870-57-9
Molecular Formula:
C15H18INO3
Molecular Weight:
387.2128
MDL Number:
MFCD09955403
IUPAC Name:
3-(3-iodopropyl)-7,8-dimethoxy-1H-3-benzazepin-2-one
InChI:
InChI=1S/C15H18INO3/c1-19-13-8-11-4-7-17(6-3-5-16)15(18)10-12(11)9-14(13)20-2/h4,7-9H,3,5-6,10H2,1-2H3
InChI Key:
VWPSZWNLEFZFQB-UHFFFAOYSA-N
SMILES:
ICCCN1C=Cc2c(CC1=O)cc(c(c2)OC)OC
EC Number:
604-658-5
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.033g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
387.217g/mol
Monoisotopic Mass:
387.033g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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