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18959-30-3 | 1,3-Isobenzofurandione, 5,6-difluoro-
CAS No: 18959-30-3 Catalog No: AG002DSF MDL No:MFCD08695033
Product Description
Catalog Number:
AG002DSF
Chemical Name:
1,3-Isobenzofurandione, 5,6-difluoro-
CAS Number:
18959-30-3
Molecular Formula:
C8H2F2O3
Molecular Weight:
184.0965
MDL Number:
MFCD08695033
IUPAC Name:
5,6-difluoro-2-benzofuran-1,3-dione
InChI:
InChI=1S/C8H2F2O3/c9-5-1-3-4(2-6(5)10)8(12)13-7(3)11/h1-2H
InChI Key:
UATBWQQFLABWKR-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)c2c1cc(F)c(c2)F
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.997g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.098g/mol
Monoisotopic Mass:
183.997g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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