Home Other Building Blocks 3-(DIFLUOROMETHOXY)-5-FLUOROBENZOIC ACID

3-(DIFLUOROMETHOXY)-5-FLUOROBENZOIC ACID

CAS No.:
1214386-42-1
Catalog Number:
AG01DYIL
Molecular Formula:
C8H5F3O3
Molecular Weight:
206.1187
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01DYIL
Chemical Name:
3-(DIFLUOROMETHOXY)-5-FLUOROBENZOIC ACID
CAS Number:
1214386-42-1
Molecular Formula:
C8H5F3O3
Molecular Weight:
206.1187
MDL Number:
MFCD14698508
IUPAC Name:
3-(difluoromethoxy)-5-fluorobenzoic acid
InChI:
InChI=1S/C8H5F3O3/c9-5-1-4(7(12)13)2-6(3-5)14-8(10)11/h1-3,8H,(H,12,13)
InChI Key:
IAUOGCKRYWZGMC-UHFFFAOYSA-N
SMILES:
FC(Oc1cc(F)cc(c1)C(=O)O)F
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.019g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.12g/mol
Monoisotopic Mass:
206.019g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties