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126070-13-1 | 1,3(2H,4H)-Isoquinolinedione, 2-(2,5-dichlorophenyl)-
CAS No: 126070-13-1 Catalog No: AG000R3E MDL No:
Product Description
Catalog Number:
AG000R3E
Chemical Name:
1,3(2H,4H)-Isoquinolinedione, 2-(2,5-dichlorophenyl)-
CAS Number:
126070-13-1
Molecular Formula:
C15H9Cl2NO2
Molecular Weight:
306.1435
IUPAC Name:
2-(2,5-dichlorophenyl)-4H-isoquinoline-1,3-dione
InChI:
InChI=1S/C15H9Cl2NO2/c16-10-5-6-12(17)13(8-10)18-14(19)7-9-3-1-2-4-11(9)15(18)20/h1-6,8H,7H2
InChI Key:
MCEJDPIAUIAWSU-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)N1C(=O)Cc2c(C1=O)cccc2)Cl
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.001g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.142g/mol
Monoisotopic Mass:
305.001g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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