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Home > Fluorides > 951888-87-2
951888-87-2 | 6-Oxo-6-(2-trifluoromethylphenyl)hexanoic acid
CAS No: 951888-87-2 Catalog No: AG01EZSR MDL No:
Product Description
Catalog Number:
AG01EZSR
Chemical Name:
6-Oxo-6-(2-trifluoromethylphenyl)hexanoic acid
CAS Number:
951888-87-2
Molecular Formula:
C13H13F3O3
Molecular Weight:
274.2357
IUPAC Name:
6-oxo-6-[2-(trifluoromethyl)phenyl]hexanoic acid
InChI:
InChI=1S/C13H13F3O3/c14-13(15,16)10-6-2-1-5-9(10)11(17)7-3-4-8-12(18)19/h1-2,5-6H,3-4,7-8H2,(H,18,19)
InChI Key:
WZBTYVSWZZCRBJ-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCC(=O)c1ccccc1C(F)(F)F
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.082g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.239g/mol
Monoisotopic Mass:
274.082g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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