Home Other Building Blocks 2-(3,3,3-trifluoropropyl)benzoic acid

2-(3,3,3-trifluoropropyl)benzoic acid

CAS No.:
1424445-88-4
Catalog Number:
AG019ZMB
Molecular Formula:
C10H9F3O2
Molecular Weight:
218.1725
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Product Description
Catalog Number:
AG019ZMB
Chemical Name:
2-(3,3,3-trifluoropropyl)benzoic acid
CAS Number:
1424445-88-4
Molecular Formula:
C10H9F3O2
Molecular Weight:
218.1725
MDL Number:
MFCD23701771
IUPAC Name:
2-(3,3,3-trifluoropropyl)benzoic acid
InChI:
InChI=1S/C10H9F3O2/c11-10(12,13)6-5-7-3-1-2-4-8(7)9(14)15/h1-4H,5-6H2,(H,14,15)
InChI Key:
CNFJJBQNJPYXIE-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1CCC(F)(F)F
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.055g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.175g/mol
Monoisotopic Mass:
218.055g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties