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143882-38-6 | 1(2H)-Isoquinolinone, 3-(2-hydroxyphenyl)-2-phenyl-
CAS No: 143882-38-6 Catalog No: AG001IJE MDL No:
Product Description
Catalog Number:
AG001IJE
Chemical Name:
1(2H)-Isoquinolinone, 3-(2-hydroxyphenyl)-2-phenyl-
CAS Number:
143882-38-6
Molecular Formula:
C21H15NO2
Molecular Weight:
313.3493
IUPAC Name:
3-(2-hydroxyphenyl)-2-phenylisoquinolin-1-one
InChI:
InChI=1S/C21H15NO2/c23-20-13-7-6-12-18(20)19-14-15-8-4-5-11-17(15)21(24)22(19)16-9-2-1-3-10-16/h1-14,23H
InChI Key:
PIGAFLCMOHQEJS-UHFFFAOYSA-N
SMILES:
Oc1ccccc1c1cc2ccccc2c(=O)n1c1ccccc1
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.11g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.356g/mol
Monoisotopic Mass:
313.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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