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Home > Fluorides > 886498-89-1
886498-89-1 | 3-Fluoro-4-(trifluoromethoxy)benzoic acid
CAS No: 886498-89-1 Catalog No: AG0038DF MDL No:MFCD06660202
Product Description
Catalog Number:
AG0038DF
Chemical Name:
3-Fluoro-4-(trifluoromethoxy)benzoic acid
CAS Number:
886498-89-1
Molecular Formula:
C8H4F4O3
Molecular Weight:
224.1092
MDL Number:
MFCD06660202
IUPAC Name:
3-fluoro-4-(trifluoromethoxy)benzoic acid
InChI:
InChI=1S/C8H4F4O3/c9-5-3-4(7(13)14)1-2-6(5)15-8(10,11)12/h1-3H,(H,13,14)
InChI Key:
PIBFTHWKVKHHMA-UHFFFAOYSA-N
SMILES:
Fc1cc(ccc1OC(F)(F)F)C(=O)O
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.01g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.111g/mol
Monoisotopic Mass:
224.01g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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