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89192-63-2 | 3,4-Isoquinolinedione, 1-(4-chlorophenyl)-1,2-dihydro-, 4-oxime, (E)-
CAS No: 89192-63-2 Catalog No: AG003VPU MDL No:
Product Description
Catalog Number:
AG003VPU
Chemical Name:
3,4-Isoquinolinedione, 1-(4-chlorophenyl)-1,2-dihydro-, 4-oxime, (E)-
CAS Number:
89192-63-2
Molecular Formula:
C15H11ClN2O2
Molecular Weight:
286.7130
IUPAC Name:
1-(4-chlorophenyl)-4-hydroxyimino-1,2-dihydroisoquinolin-3-one
InChI:
InChI=1S/C15H11ClN2O2/c16-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(18-20)15(19)17-13/h1-8,13,20H,(H,17,19)
InChI Key:
KBCPZICLUQPORP-UHFFFAOYSA-N
SMILES:
O/N=C\1/C(=O)NC(c2c1cccc2)c1ccc(cc1)Cl
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.051g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.715g/mol
Monoisotopic Mass:
286.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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