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14186-66-4 | 2,1-Benzisoxazole, 3-(2,3,4,5,6-pentafluorophenyl)-
CAS No: 14186-66-4 Catalog No: AG001HAH MDL No:
Product Description
Catalog Number:
AG001HAH
Chemical Name:
2,1-Benzisoxazole, 3-(2,3,4,5,6-pentafluorophenyl)-
CAS Number:
14186-66-4
Molecular Formula:
C13H4F5NO
Molecular Weight:
285.1690
IUPAC Name:
3-(2,3,4,5,6-pentafluorophenyl)-2,1-benzoxazole
InChI:
InChI=1S/C13H4F5NO/c14-8-7(9(15)11(17)12(18)10(8)16)13-5-3-1-2-4-6(5)19-20-13/h1-4H
InChI Key:
YSGAFHSZSJFDNV-UHFFFAOYSA-N
SMILES:
Fc1c(F)c(F)c(c(c1c1onc2c1cccc2)F)F
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.021g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.173g/mol
Monoisotopic Mass:
285.021g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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