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Home > Fluorides > 853310-21-1
853310-21-1 | 3-(5-(2-(Trifluoromethyl)phenyl)furan-2-yl)propionic acid
CAS No: 853310-21-1 Catalog No: AG004U2Q MDL No:MFCD07776879
Product Description
Catalog Number:
AG004U2Q
Chemical Name:
3-(5-(2-(Trifluoromethyl)phenyl)furan-2-yl)propionic acid
CAS Number:
853310-21-1
Molecular Formula:
C14H11F3O3
Molecular Weight:
284.2305
MDL Number:
MFCD07776879
IUPAC Name:
3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propanoic acid
InChI:
InChI=1S/C14H11F3O3/c15-14(16,17)11-4-2-1-3-10(11)12-7-5-9(20-12)6-8-13(18)19/h1-5,7H,6,8H2,(H,18,19)
InChI Key:
GUNVLEJSOWBDBS-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccc(o1)c1ccccc1C(F)(F)F
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.066g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.234g/mol
Monoisotopic Mass:
284.066g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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