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Home > Fluorides > 122590-12-9
122590-12-9 | 1,3-Isobenzofurandione, 5-[4-(trifluoromethyl)phenoxy]-
CAS No: 122590-12-9 Catalog No: AG0017I6 MDL No:
Product Description
Catalog Number:
AG0017I6
Chemical Name:
1,3-Isobenzofurandione, 5-[4-(trifluoromethyl)phenoxy]-
CAS Number:
122590-12-9
Molecular Formula:
C15H7F3O4
Molecular Weight:
308.2089
IUPAC Name:
5-[4-(trifluoromethyl)phenoxy]-2-benzofuran-1,3-dione
InChI:
InChI=1S/C15H7F3O4/c16-15(17,18)8-1-3-9(4-2-8)21-10-5-6-11-12(7-10)14(20)22-13(11)19/h1-7H
InChI Key:
HRMUBQVIRYTWMF-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)c2c1cc(cc2)Oc1ccc(cc1)C(F)(F)F
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.03g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.212g/mol
Monoisotopic Mass:
308.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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