Home Halogens 3-chloro-4-(difluoromethoxy)benzoic acid

3-chloro-4-(difluoromethoxy)benzoic acid

CAS No.:
1192829-74-5
Catalog Number:
AG01BUSY
Molecular Formula:
C8H5ClF2O3
Molecular Weight:
222.5733
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Product Description
Catalog Number:
AG01BUSY
Chemical Name:
3-chloro-4-(difluoromethoxy)benzoic acid
CAS Number:
1192829-74-5
Molecular Formula:
C8H5ClF2O3
Molecular Weight:
222.5733
MDL Number:
MFCD14652989
IUPAC Name:
3-chloro-4-(difluoromethoxy)benzoic acid
InChI:
InChI=1S/C8H5ClF2O3/c9-5-3-4(7(12)13)1-2-6(5)14-8(10)11/h1-3,8H,(H,12,13)
InChI Key:
SLPNPJPSQCADEB-UHFFFAOYSA-N
SMILES:
FC(Oc1ccc(cc1Cl)C(=O)O)F
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.99g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.572g/mol
Monoisotopic Mass:
221.99g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties