Home Other Building Blocks 2-(2,2,2-trifluoroethyl)benzoic acid

2-(2,2,2-trifluoroethyl)benzoic acid

CAS No.:
858847-76-4
Catalog Number:
AG019RYB
Molecular Formula:
C9H7F3O2
Molecular Weight:
204.1459
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Product Description
Catalog Number:
AG019RYB
Chemical Name:
2-(2,2,2-trifluoroethyl)benzoic acid
CAS Number:
858847-76-4
Molecular Formula:
C9H7F3O2
Molecular Weight:
204.1459
MDL Number:
MFCD22548083
IUPAC Name:
2-(2,2,2-trifluoroethyl)benzoic acid
InChI:
InChI=1S/C9H7F3O2/c10-9(11,12)5-6-3-1-2-4-7(6)8(13)14/h1-4H,5H2,(H,13,14)
InChI Key:
YMIWLXFZJJCFJH-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1CC(F)(F)F
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.04g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.148g/mol
Monoisotopic Mass:
204.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties