Home Other Building Blocks 2,4-Difluoromandelic acid

2,4-Difluoromandelic acid

CAS No.:
132741-30-1
Catalog Number:
AG00113T
Molecular Formula:
C8H6F2O3
Molecular Weight:
188.1282
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$45
- +
5g
95%
In Stock USA
United States
$99
- +
Product Description
Catalog Number:
AG00113T
Chemical Name:
2,4-Difluoromandelic acid
CAS Number:
132741-30-1
Molecular Formula:
C8H6F2O3
Molecular Weight:
188.1282
MDL Number:
MFCD00061296
IUPAC Name:
2-(2,4-difluorophenyl)-2-hydroxyacetic acid
InChI:
InChI=1S/C8H6F2O3/c9-4-1-2-5(6(10)3-4)7(11)8(12)13/h1-3,7,11H,(H,12,13)
InChI Key:
RRRQFGNNRJHLNV-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccc(cc1F)F)O
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.029g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
188.13g/mol
Monoisotopic Mass:
188.029g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties