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Home > Fluorides > 148238-44-2
148238-44-2 | 1(3H)-Isobenzofuranone, 3-(4-fluorophenyl)-3-(2-hydroxy-4-methylphenyl)-
CAS No: 148238-44-2 Catalog No: AG001FJK MDL No:
Product Description
Catalog Number:
AG001FJK
Chemical Name:
1(3H)-Isobenzofuranone, 3-(4-fluorophenyl)-3-(2-hydroxy-4-methylphenyl)-
CAS Number:
148238-44-2
Molecular Formula:
C21H15FO3
Molecular Weight:
334.3404
IUPAC Name:
3-(4-fluorophenyl)-3-(2-hydroxy-4-methylphenyl)-2-benzofuran-1-one
InChI:
InChI=1S/C21H15FO3/c1-13-6-11-18(19(23)12-13)21(14-7-9-15(22)10-8-14)17-5-3-2-4-16(17)20(24)25-21/h2-12,23H,1H3
InChI Key:
OJORFUCIMFFMJE-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C1(OC(=O)c2c1cccc2)c1ccc(cc1O)C
NSC Number:
682334
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.101g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.346g/mol
Monoisotopic Mass:
334.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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