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76284-63-4 | 1(3H)-Isobenzofuranone, 3-hydroxy-3-(trifluoromethyl)-
CAS No: 76284-63-4 Catalog No: AG0056X8 MDL No:
Product Description
Catalog Number:
AG0056X8
Chemical Name:
1(3H)-Isobenzofuranone, 3-hydroxy-3-(trifluoromethyl)-
CAS Number:
76284-63-4
Molecular Formula:
C9H5F3O3
Molecular Weight:
218.1294
IUPAC Name:
3-hydroxy-3-(trifluoromethyl)-2-benzofuran-1-one
InChI:
InChI=1S/C9H5F3O3/c10-9(11,12)8(14)6-4-2-1-3-5(6)7(13)15-8/h1-4,14H
InChI Key:
OULVXZPTDMUUDC-UHFFFAOYSA-N
SMILES:
O=C1OC(c2c1cccc2)(O)C(F)(F)F
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.019g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.131g/mol
Monoisotopic Mass:
218.019g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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