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20687-99-4 | Isobenzofuran, 1,1,3,3,4-pentafluoro-1,3-dihydro-
CAS No: 20687-99-4 Catalog No: AG002IQI MDL No:
Product Description
Catalog Number:
AG002IQI
Chemical Name:
Isobenzofuran, 1,1,3,3,4-pentafluoro-1,3-dihydro-
CAS Number:
20687-99-4
Molecular Formula:
C8H3F5O
Molecular Weight:
210.1008
IUPAC Name:
1,1,3,3,4-pentafluoro-2-benzofuran
InChI:
InChI=1S/C8H3F5O/c9-5-3-1-2-4-6(5)8(12,13)14-7(4,10)11/h1-3H
InChI Key:
BWPBPJUIVAVSLZ-UHFFFAOYSA-N
SMILES:
Fc1cccc2c1C(F)(F)OC2(F)F
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.103g/mol
Monoisotopic Mass:
210.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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