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Home > Fluorides > 1402232-90-9
1402232-90-9 | 4-(Oxan-4-yloxy)-3-(trifluoromethyl)benzoic acid
CAS No: 1402232-90-9 Catalog No: AG01F9JJ MDL No:
Product Description
Catalog Number:
AG01F9JJ
Chemical Name:
4-(Oxan-4-yloxy)-3-(trifluoromethyl)benzoic acid
CAS Number:
1402232-90-9
Molecular Formula:
C13H13F3O4
Molecular Weight:
290.2351
IUPAC Name:
4-(oxan-4-yloxy)-3-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C13H13F3O4/c14-13(15,16)10-7-8(12(17)18)1-2-11(10)20-9-3-5-19-6-4-9/h1-2,7,9H,3-6H2,(H,17,18)
InChI Key:
KMEWLUVARFMJJU-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)C(F)(F)F)OC1CCOCC1
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.077g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.238g/mol
Monoisotopic Mass:
290.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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