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Home > Fluorides > 951891-70-6
951891-70-6 | 8-(2,3,4,5-Tetrafluorophenyl)-8-oxooctanoic acid
CAS No: 951891-70-6 Catalog No: AG01EZYT MDL No:
Product Description
Catalog Number:
AG01EZYT
Chemical Name:
8-(2,3,4,5-Tetrafluorophenyl)-8-oxooctanoic acid
CAS Number:
951891-70-6
Molecular Formula:
C14H14F4O3
Molecular Weight:
306.2528
IUPAC Name:
8-oxo-8-(2,3,4,5-tetrafluorophenyl)octanoic acid
InChI:
InChI=1S/C14H14F4O3/c15-9-7-8(12(16)14(18)13(9)17)10(19)5-3-1-2-4-6-11(20)21/h7H,1-6H2,(H,20,21)
InChI Key:
AFBXWABEHTYZJC-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCC(=O)c1cc(F)c(c(c1F)F)F
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.088g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.257g/mol
Monoisotopic Mass:
306.088g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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