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918330-23-1 | 1H-Isoindol-1-one, 5-[(2,4-difluorophenyl)amino]-2,3-dihydro-2-phenyl-
CAS No: 918330-23-1 Catalog No: AG006GCP MDL No:
Product Description
Catalog Number:
AG006GCP
Chemical Name:
1H-Isoindol-1-one, 5-[(2,4-difluorophenyl)amino]-2,3-dihydro-2-phenyl-
CAS Number:
918330-23-1
Molecular Formula:
C20H14F2N2O
Molecular Weight:
336.3348
IUPAC Name:
5-(2,4-difluoroanilino)-2-phenyl-3H-isoindol-1-one
InChI:
InChI=1S/C20H14F2N2O/c21-14-6-9-19(18(22)11-14)23-15-7-8-17-13(10-15)12-24(20(17)25)16-4-2-1-3-5-16/h1-11,23H,12H2
InChI Key:
ZTDQLFPCCJPCAE-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)F)Nc1ccc2c(c1)CN(C2=O)c1ccccc1
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.107g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.342g/mol
Monoisotopic Mass:
336.107g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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