Home Other Building Blocks Benzoic acid, 4-[(1,2,2-trifluoroethenyl)oxy]-

Benzoic acid, 4-[(1,2,2-trifluoroethenyl)oxy]-

CAS No.:
134151-66-9
Catalog Number:
AG009DU6
Molecular Formula:
C9H5F3O3
Molecular Weight:
218.1294
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
1 week
United States
$100
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Product Description
Catalog Number:
AG009DU6
Chemical Name:
Benzoic acid, 4-[(1,2,2-trifluoroethenyl)oxy]-
CAS Number:
134151-66-9
Molecular Formula:
C9H5F3O3
Molecular Weight:
218.1294
MDL Number:
MFCD06411647
IUPAC Name:
4-(1,2,2-trifluoroethenoxy)benzoic acid
InChI:
InChI=1S/C9H5F3O3/c10-7(11)8(12)15-6-3-1-5(2-4-6)9(13)14/h1-4H,(H,13,14)
InChI Key:
RSARXEGXWPNARA-UHFFFAOYSA-N
SMILES:
FC(=C(Oc1ccc(cc1)C(=O)O)F)F
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.019g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.131g/mol
Monoisotopic Mass:
218.019g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties