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Home > Fluorides > 893737-95-6
893737-95-6 | 5-(2,3,4,5,6-Pentafluorophenyl)-2-furoic acid
CAS No: 893737-95-6 Catalog No: AG01EYOO MDL No:
Product Description
Catalog Number:
AG01EYOO
Chemical Name:
5-(2,3,4,5,6-Pentafluorophenyl)-2-furoic acid
CAS Number:
893737-95-6
Molecular Formula:
C11H3F5O3
Molecular Weight:
278.1317
IUPAC Name:
5-(2,3,4,5,6-pentafluorophenyl)furan-2-carboxylic acid
InChI:
InChI=1S/C11H3F5O3/c12-6-5(3-1-2-4(19-3)11(17)18)7(13)9(15)10(16)8(6)14/h1-2H,(H,17,18)
InChI Key:
NNRULCUFPWJUIU-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(o1)c1c(F)c(F)c(c(c1F)F)F
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.134g/mol
Monoisotopic Mass:
278g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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