Home Other Building Blocks 4-(3,4,5-trifluorophenyl)benzoic acid

4-(3,4,5-trifluorophenyl)benzoic acid

CAS No.:
925908-50-5
Catalog Number:
AG019S35
Molecular Formula:
C13H7F3O2
Molecular Weight:
252.1887
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Product Description
Catalog Number:
AG019S35
Chemical Name:
4-(3,4,5-trifluorophenyl)benzoic acid
CAS Number:
925908-50-5
Molecular Formula:
C13H7F3O2
Molecular Weight:
252.1887
MDL Number:
MFCD13294262
IUPAC Name:
4-(3,4,5-trifluorophenyl)benzoic acid
InChI:
InChI=1S/C13H7F3O2/c14-10-5-9(6-11(15)12(10)16)7-1-3-8(4-2-7)13(17)18/h1-6H,(H,17,18)
InChI Key:
HDDVJCZDLNIIPK-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)c1cc(F)c(c(c1)F)F
Properties
Complexity:
291  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.04g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.192g/mol
Monoisotopic Mass:
252.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties