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26238-14-2 | 1,3-Isobenzofurandione, 5-(trifluoromethyl)-
CAS No: 26238-14-2 Catalog No: AG002SEX MDL No:MFCD19688656
Product Description
Catalog Number:
AG002SEX
Chemical Name:
1,3-Isobenzofurandione, 5-(trifluoromethyl)-
CAS Number:
26238-14-2
Molecular Formula:
C9H3F3O3
Molecular Weight:
216.1135
MDL Number:
MFCD19688656
IUPAC Name:
5-(trifluoromethyl)-2-benzofuran-1,3-dione
InChI:
InChI=1S/C9H3F3O3/c10-9(11,12)4-1-2-5-6(3-4)8(14)15-7(5)13/h1-3H
InChI Key:
AKAAHMXNWDUFTD-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)c2c1cc(cc2)C(F)(F)F
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.003g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.115g/mol
Monoisotopic Mass:
216.003g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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