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Home > Fluorides > 898288-91-0
898288-91-0 | Benzoic acid,4-(5-oxazolyl)-, 2,3,4,5,6-pentafluorophenyl ester
CAS No: 898288-91-0 Catalog No: AG003XPH MDL No:MFCD09025822
Product Description
Catalog Number:
AG003XPH
Chemical Name:
Benzoic acid,4-(5-oxazolyl)-, 2,3,4,5,6-pentafluorophenyl ester
CAS Number:
898288-91-0
Molecular Formula:
C16H6F5NO3
Molecular Weight:
355.2158
MDL Number:
MFCD09025822
IUPAC Name:
(2,3,4,5,6-pentafluorophenyl) 4-(1,3-oxazol-5-yl)benzoate
InChI:
InChI=1S/C16H6F5NO3/c17-10-11(18)13(20)15(14(21)12(10)19)25-16(23)8-3-1-7(2-4-8)9-5-22-6-24-9/h1-6H
InChI Key:
FWUPBFHGEDUEID-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)c1cnco1)Oc1c(F)c(F)c(c(c1F)F)F
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.027g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.22g/mol
Monoisotopic Mass:
355.027g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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