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

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

CAS No.:
53086-44-5
Catalog Number:
AG01AJTU
Molecular Formula:
C11H11F3O2
Molecular Weight:
232.1990
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Product Description
Catalog Number:
AG01AJTU
Chemical Name:
3-[3-(trifluoromethyl)phenyl]butanoic acid
CAS Number:
53086-44-5
Molecular Formula:
C11H11F3O2
Molecular Weight:
232.1990
MDL Number:
MFCD11172870
IUPAC Name:
3-[3-(trifluoromethyl)phenyl]butanoic acid
InChI:
InChI=1S/C11H11F3O2/c1-7(5-10(15)16)8-3-2-4-9(6-8)11(12,13)14/h2-4,6-7H,5H2,1H3,(H,15,16)
InChI Key:
PYZVONNUQDBNJA-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1cccc(c1)C(F)(F)F)C
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:
3.1  
Properties