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78126-13-3 | Benzoic acid, 4-(trifluoroacetyl)-, hexyl ester
CAS No: 78126-13-3 Catalog No: AG005DM8 MDL No:
Product Description
Catalog Number:
AG005DM8
Chemical Name:
Benzoic acid, 4-(trifluoroacetyl)-, hexyl ester
CAS Number:
78126-13-3
Molecular Formula:
C15H17F3O3
Molecular Weight:
302.2889
IUPAC Name:
hexyl 4-(2,2,2-trifluoroacetyl)benzoate
InChI:
InChI=1S/C15H17F3O3/c1-2-3-4-5-10-21-14(20)12-8-6-11(7-9-12)13(19)15(16,17)18/h6-9H,2-5,10H2,1H3
InChI Key:
IHMVGGGGGHDICD-UHFFFAOYSA-N
SMILES:
CCCCCCOC(=O)c1ccc(cc1)C(=O)C(F)(F)F
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.113g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.293g/mol
Monoisotopic Mass:
302.113g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
Literature
| Title | Journal |
|---|---|
| The influence of CO(2) on ISFETs with polymer membranes and characterization of a carbonate ion sensor. | Talanta 20100615 |
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