Home Halogens Benzoic acid, 4-(chlorodifluoromethoxy)-

Benzoic acid, 4-(chlorodifluoromethoxy)-

CAS No.:
147992-34-5
Catalog Number:
AG001FCH
Molecular Formula:
C8H5ClF2O3
Molecular Weight:
222.5733
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Product Description
Catalog Number:
AG001FCH
Chemical Name:
Benzoic acid, 4-(chlorodifluoromethoxy)-
CAS Number:
147992-34-5
Molecular Formula:
C8H5ClF2O3
Molecular Weight:
222.5733
MDL Number:
MFCD00718834
IUPAC Name:
4-[chloro(difluoro)methoxy]benzoic acid
InChI:
InChI=1S/C8H5ClF2O3/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)
InChI Key:
MKEUDNOXARFUQW-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)OC(Cl)(F)F
Properties
Complexity:
215  
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:
3.4  
Properties