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Home > Fluorides > 951891-67-1
951891-67-1 | 7-(2,3,4,5-Tetrafluorophenyl)-7-oxoheptanoic acid
CAS No: 951891-67-1 Catalog No: AG01EZYQ MDL No:
Product Description
Catalog Number:
AG01EZYQ
Chemical Name:
7-(2,3,4,5-Tetrafluorophenyl)-7-oxoheptanoic acid
CAS Number:
951891-67-1
Molecular Formula:
C13H12F4O3
Molecular Weight:
292.2262
IUPAC Name:
7-oxo-7-(2,3,4,5-tetrafluorophenyl)heptanoic acid
InChI:
InChI=1S/C13H12F4O3/c14-8-6-7(11(15)13(17)12(8)16)9(18)4-2-1-3-5-10(19)20/h6H,1-5H2,(H,19,20)
InChI Key:
AEEJKHHUYBRFBG-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCC(=O)c1cc(F)c(c(c1F)F)F
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.072g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.23g/mol
Monoisotopic Mass:
292.072g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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