Home Other Building Blocks 3-Methyl-5-(trifluoromethyl)benzoic acid

3-Methyl-5-(trifluoromethyl)benzoic acid

CAS No.:
117186-02-4
Catalog Number:
AG000DVO
Molecular Formula:
C9H7F3O2
Molecular Weight:
204.1459
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$287
- +
10g
98%
In Stock USA
United States
$525
- +
Product Description
Catalog Number:
AG000DVO
Chemical Name:
3-Methyl-5-(trifluoromethyl)benzoic acid
CAS Number:
117186-02-4
Molecular Formula:
C9H7F3O2
Molecular Weight:
204.1459
MDL Number:
MFCD01631590
IUPAC Name:
3-methyl-5-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C9H7F3O2/c1-5-2-6(8(13)14)4-7(3-5)9(10,11)12/h2-4H,1H3,(H,13,14)
InChI Key:
QJSRENHDYMAJIL-UHFFFAOYSA-N
SMILES:
Cc1cc(cc(c1)C(F)(F)F)C(=O)O
Properties
Complexity:
225  
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:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties