Home Other Building Blocks Benzoic acid, 2-methoxy-5-(trifluoromethoxy)-

Benzoic acid, 2-methoxy-5-(trifluoromethoxy)-

CAS No.:
191604-88-3
Catalog Number:
AG002FCZ
Molecular Formula:
C9H7F3O4
Molecular Weight:
236.1447
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Product Description
Catalog Number:
AG002FCZ
Chemical Name:
Benzoic acid, 2-methoxy-5-(trifluoromethoxy)-
CAS Number:
191604-88-3
Molecular Formula:
C9H7F3O4
Molecular Weight:
236.1447
MDL Number:
MFCD01862055
IUPAC Name:
2-methoxy-5-(trifluoromethoxy)benzoic acid
InChI:
InChI=1S/C9H7F3O4/c1-15-7-3-2-5(16-9(10,11)12)4-6(7)8(13)14/h2-4H,1H3,(H,13,14)
InChI Key:
HURBWIHJHDFCGU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(=O)O)OC(F)(F)F
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.03g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
236.146g/mol
Monoisotopic Mass:
236.03g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties