Home Other Building Blocks 3-(4-Carboxy-3-fluorophenyl)-5-methoxybenzoic acid

3-(4-Carboxy-3-fluorophenyl)-5-methoxybenzoic acid

CAS No.:
1261970-06-2
Catalog Number:
AG000SAD
Molecular Formula:
C15H11FO5
Molecular Weight:
290.2432
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$300
- +
5g
96%
In Stock USA
United States
$1200
- +
Product Description
Catalog Number:
AG000SAD
Chemical Name:
3-(4-Carboxy-3-fluorophenyl)-5-methoxybenzoic acid
CAS Number:
1261970-06-2
Molecular Formula:
C15H11FO5
Molecular Weight:
290.2432
MDL Number:
MFCD18321507
IUPAC Name:
4-(3-carboxy-5-methoxyphenyl)-2-fluorobenzoic acid
InChI:
InChI=1S/C15H11FO5/c1-21-11-5-9(4-10(6-11)14(17)18)8-2-3-12(15(19)20)13(16)7-8/h2-7H,1H3,(H,17,18)(H,19,20)
InChI Key:
XSOSNMBMBVAPKW-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1)c1ccc(c(c1)F)C(=O)O)C(=O)O
Properties
Complexity:
400  
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:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
290.246g/mol
Monoisotopic Mass:
290.059g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties