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1306115-49-0 | 2-(4-iodophenyl)isoquinoline-1,3(2H,4H)-dione
CAS No: 1306115-49-0 Catalog No: AG01DV7W MDL No:
Product Description
Catalog Number:
AG01DV7W
Chemical Name:
2-(4-iodophenyl)isoquinoline-1,3(2H,4H)-dione
CAS Number:
1306115-49-0
Molecular Formula:
C15H10INO2
Molecular Weight:
363.1499
IUPAC Name:
2-(4-iodophenyl)-4H-isoquinoline-1,3-dione
InChI:
InChI=1S/C15H10INO2/c16-11-5-7-12(8-6-11)17-14(18)9-10-3-1-2-4-13(10)15(17)19/h1-8H,9H2
InChI Key:
JCKXRNWMZHSAFE-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)N1C(=O)Cc2c(C1=O)cccc2
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.976g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.154g/mol
Monoisotopic Mass:
362.976g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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