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Home > Fluorides > 148238-46-4
148238-46-4 | 1(3H)-Isobenzofuranone, 3-[2-(acetyloxy)-4-methylphenyl]-3-(4-fluorophenyl)-
CAS No: 148238-46-4 Catalog No: AG001FJI MDL No:
Product Description
Catalog Number:
AG001FJI
Chemical Name:
1(3H)-Isobenzofuranone, 3-[2-(acetyloxy)-4-methylphenyl]-3-(4-fluorophenyl)-
CAS Number:
148238-46-4
Molecular Formula:
C23H17FO4
Molecular Weight:
376.3771
IUPAC Name:
[4-[1-(4-fluorophenyl)-3-oxo-2-benzofuran-1-yl]-3-methylphenyl] acetate
InChI:
InChI=1S/C23H17FO4/c1-14-13-18(27-15(2)25)11-12-20(14)23(16-7-9-17(24)10-8-16)21-6-4-3-5-19(21)22(26)28-23/h3-13H,1-2H3
InChI Key:
ARWYVQDENBNRMX-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cc(C)ccc1C1(OC(=O)c2c1cccc2)c1ccc(cc1)F
NSC Number:
671456
Properties
Complexity:
599
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.111g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
376.383g/mol
Monoisotopic Mass:
376.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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