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

3-(3,4-Methylenedioxyphenyl)-5-trifluoromethylbenzoic acid

CAS No.:
1261931-67-2
Catalog Number:
AG000S7N
Molecular Formula:
C15H9F3O4
Molecular Weight:
310.2248
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$250
- +
5g
95%
In Stock USA
United States
$1000
- +
Product Description
Catalog Number:
AG000S7N
Chemical Name:
3-(3,4-Methylenedioxyphenyl)-5-trifluoromethylbenzoic acid
CAS Number:
1261931-67-2
Molecular Formula:
C15H9F3O4
Molecular Weight:
310.2248
MDL Number:
MFCD18320320
IUPAC Name:
3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C15H9F3O4/c16-15(17,18)11-4-9(3-10(5-11)14(19)20)8-1-2-12-13(6-8)22-7-21-12/h1-6H,7H2,(H,19,20)
InChI Key:
USTWZWRWUYKZEF-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(cc(c1)C(F)(F)F)c1ccc2c(c1)OCO2
Properties
Complexity:
426  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
310.228g/mol
Monoisotopic Mass:
310.045g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties