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16289-13-7 | 1H-Isoindol-1-one, 3-(3,4-dichlorophenyl)-2,3-dihydro-3-hydroxy-
CAS No: 16289-13-7 Catalog No: AG001TJ1 MDL No:
Product Description
Catalog Number:
AG001TJ1
Chemical Name:
1H-Isoindol-1-one, 3-(3,4-dichlorophenyl)-2,3-dihydro-3-hydroxy-
CAS Number:
16289-13-7
Molecular Formula:
C14H9Cl2NO2
Molecular Weight:
294.1328
IUPAC Name:
3-(3,4-dichlorophenyl)-3-hydroxy-2H-isoindol-1-one
InChI:
InChI=1S/C14H9Cl2NO2/c15-11-6-5-8(7-12(11)16)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)
InChI Key:
SXUJTBDUNKPITB-UHFFFAOYSA-N
SMILES:
O=C1NC(c2c1cccc2)(O)c1ccc(c(c1)Cl)Cl
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.001g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
294.131g/mol
Monoisotopic Mass:
293.001g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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