Home Other Building Blocks 4-(cyclopentylsulfanyl)-3-(trifluoromethyl)benzoic acid

4-(cyclopentylsulfanyl)-3-(trifluoromethyl)benzoic acid

CAS No.:
1461713-63-2
Catalog Number:
AG01A6ZN
Molecular Formula:
C13H13F3O2S
Molecular Weight:
290.3013
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Product Description
Catalog Number:
AG01A6ZN
Chemical Name:
4-(cyclopentylsulfanyl)-3-(trifluoromethyl)benzoic acid
CAS Number:
1461713-63-2
Molecular Formula:
C13H13F3O2S
Molecular Weight:
290.3013
MDL Number:
MFCD25970495
IUPAC Name:
4-cyclopentylsulfanyl-3-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C13H13F3O2S/c14-13(15,16)10-7-8(12(17)18)5-6-11(10)19-9-3-1-2-4-9/h5-7,9H,1-4H2,(H,17,18)
InChI Key:
SACACAKDHDPVLE-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)C(F)(F)F)SC1CCCC1
Properties
Complexity:
326  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.059g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
290.3g/mol
Monoisotopic Mass:
290.059g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties