Home Other Building Blocks 3-hydroxy-5-(trifluoromethoxy)benzoic acid

3-hydroxy-5-(trifluoromethoxy)benzoic acid

CAS No.:
1163141-52-3
Catalog Number:
AG01B1OE
Molecular Formula:
C8H5F3O4
Molecular Weight:
222.1181
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Product Description
Catalog Number:
AG01B1OE
Chemical Name:
3-hydroxy-5-(trifluoromethoxy)benzoic acid
CAS Number:
1163141-52-3
Molecular Formula:
C8H5F3O4
Molecular Weight:
222.1181
MDL Number:
MFCD18397463
IUPAC Name:
3-hydroxy-5-(trifluoromethoxy)benzoic acid
InChI:
InChI=1S/C8H5F3O4/c9-8(10,11)15-6-2-4(7(13)14)1-5(12)3-6/h1-3,12H,(H,13,14)
InChI Key:
ODXFYLCLJCPTLB-UHFFFAOYSA-N
SMILES:
Oc1cc(cc(c1)C(=O)O)OC(F)(F)F
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.014g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
222.119g/mol
Monoisotopic Mass:
222.014g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties