Home Other Building Blocks 4-Methoxy-2-(trifluoromethyl)benzoic acid

4-Methoxy-2-(trifluoromethyl)benzoic acid

CAS No.:
127817-85-0
Catalog Number:
AG000XFJ
Molecular Formula:
C9H7F3O3
Molecular Weight:
220.1453
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$63
- +
5g
98%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG000XFJ
Chemical Name:
4-Methoxy-2-(trifluoromethyl)benzoic acid
CAS Number:
127817-85-0
Molecular Formula:
C9H7F3O3
Molecular Weight:
220.1453
MDL Number:
MFCD01091013
IUPAC Name:
4-methoxy-2-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C9H7F3O3/c1-15-5-2-3-6(8(13)14)7(4-5)9(10,11)12/h2-4H,1H3,(H,13,14)
InChI Key:
MLCRFQSWSHKLDP-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C(F)(F)F)C(=O)O
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.035g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.147g/mol
Monoisotopic Mass:
220.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties