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124394-22-5 | 1(2H)-Isoquinolinone, 3-(4-chlorophenyl)-
CAS No: 124394-22-5 Catalog No: AG000LYS MDL No:
Product Description
Catalog Number:
AG000LYS
Chemical Name:
1(2H)-Isoquinolinone, 3-(4-chlorophenyl)-
CAS Number:
124394-22-5
Molecular Formula:
C15H10ClNO
Molecular Weight:
255.6990
IUPAC Name:
3-(4-chlorophenyl)-2H-isoquinolin-1-one
InChI:
InChI=1S/C15H10ClNO/c16-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)15(18)17-14/h1-9H,(H,17,18)
InChI Key:
KJGKATNJRZANRI-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1cc2ccccc2c(=O)[nH]1
NSC Number:
721139
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.045g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.701g/mol
Monoisotopic Mass:
255.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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