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

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

CAS No.:
916806-97-8
Catalog Number:
AG00H1JC
Molecular Formula:
C14H15F3O2
Molecular Weight:
272.2629
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$114
- +
250mg
95%
In Stock USA
United States
$221
- +
1g
95%
In Stock USA
United States
$441
- +
Product Description
Catalog Number:
AG00H1JC
Chemical Name:
4-(Cyclohexyl)-3-(trifluoromethyl)benzoic acid
CAS Number:
916806-97-8
Molecular Formula:
C14H15F3O2
Molecular Weight:
272.2629
MDL Number:
MFCD29072797
IUPAC Name:
4-cyclohexyl-3-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C14H15F3O2/c15-14(16,17)12-8-10(13(18)19)6-7-11(12)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,18,19)
InChI Key:
XIWQGDFYIINJLV-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)C(F)(F)F)C1CCCCC1
Properties
Complexity:
321  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.102g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
272.267g/mol
Monoisotopic Mass:
272.102g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  
Properties