Home Other Building Blocks 2-[3-(trifluoromethyl)phenyl]butanoic acid

2-[3-(trifluoromethyl)phenyl]butanoic acid

CAS No.:
129140-97-2
Catalog Number:
AG019YUK
Molecular Formula:
C11H11F3O2
Molecular Weight:
232.1990
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Product Description
Catalog Number:
AG019YUK
Chemical Name:
2-[3-(trifluoromethyl)phenyl]butanoic acid
CAS Number:
129140-97-2
Molecular Formula:
C11H11F3O2
Molecular Weight:
232.1990
MDL Number:
MFCD16316297
IUPAC Name:
2-[3-(trifluoromethyl)phenyl]butanoic acid
InChI:
InChI=1S/C11H11F3O2/c1-2-9(10(15)16)7-4-3-5-8(6-7)11(12,13)14/h3-6,9H,2H2,1H3,(H,15,16)
InChI Key:
MVESVVUZSZNCSI-UHFFFAOYSA-N
SMILES:
CCC(c1cccc(c1)C(F)(F)F)C(=O)O
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.071g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.202g/mol
Monoisotopic Mass:
232.071g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties