Home Other Building Blocks 4-(Difluoromethoxy)-2-fluorobenzoic acid

4-(Difluoromethoxy)-2-fluorobenzoic acid

CAS No.:
1017779-52-0
Catalog Number:
AG01BJK0
Molecular Formula:
C8H5F3O3
Molecular Weight:
206.1187
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Product Description
Catalog Number:
AG01BJK0
Chemical Name:
4-(Difluoromethoxy)-2-fluorobenzoic acid
CAS Number:
1017779-52-0
Molecular Formula:
C8H5F3O3
Molecular Weight:
206.1187
MDL Number:
MFCD09832367
IUPAC Name:
4-(difluoromethoxy)-2-fluorobenzoic acid
InChI:
InChI=1S/C8H5F3O3/c9-6-3-4(14-8(10)11)1-2-5(6)7(12)13/h1-3,8H,(H,12,13)
InChI Key:
JEXCVZBFHDTIDA-UHFFFAOYSA-N
SMILES:
FC(Oc1ccc(c(c1)F)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