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Home > Fluorides > 1261442-97-0
1261442-97-0 | Benzoic acid, 3-methoxy-5-(trifluoromethoxy)-
CAS No: 1261442-97-0 Catalog No: AG000RRH MDL No:MFCD18398450
Product Description
Catalog Number:
AG000RRH
Chemical Name:
Benzoic acid, 3-methoxy-5-(trifluoromethoxy)-
CAS Number:
1261442-97-0
Molecular Formula:
C9H7F3O4
Molecular Weight:
236.1447
MDL Number:
MFCD18398450
IUPAC Name:
3-methoxy-5-(trifluoromethoxy)benzoic acid
InChI:
InChI=1S/C9H7F3O4/c1-15-6-2-5(8(13)14)3-7(4-6)16-9(10,11)12/h2-4H,1H3,(H,13,14)
InChI Key:
WKKAZBSQUVIUFA-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1)C(=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:
3.4
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