Home Other Building Blocks 3-(4-Carboxyphenyl)-5-trifluoromethylbenzoic acid

3-(4-Carboxyphenyl)-5-trifluoromethylbenzoic acid

CAS No.:
1261975-94-3
Catalog Number:
AG000S9S
Molecular Formula:
C15H9F3O4
Molecular Weight:
310.2248
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$100
- +
5g
95%
In Stock USA
United States
$300
- +
10g
95%
In Stock USA
United States
$525
- +
Product Description
Catalog Number:
AG000S9S
Chemical Name:
3-(4-Carboxyphenyl)-5-trifluoromethylbenzoic acid
CAS Number:
1261975-94-3
Molecular Formula:
C15H9F3O4
Molecular Weight:
310.2248
MDL Number:
MFCD18320294
IUPAC Name:
3-(4-carboxyphenyl)-5-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C15H9F3O4/c16-15(17,18)12-6-10(5-11(7-12)14(21)22)8-1-3-9(4-2-8)13(19)20/h1-7H,(H,19,20)(H,21,22)
InChI Key:
ZSACUTOXWGVAFC-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)c1cc(cc(c1)C(F)(F)F)C(=O)O
Properties
Complexity:
427  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.045g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
310.228g/mol
Monoisotopic Mass:
310.045g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties