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Home > Fluorides > 129623-61-6
129623-61-6 | Benzoic acid, 4-(4-fluorophenoxy)-
CAS No: 129623-61-6 Catalog No: AG000Z9I MDL No:MFCD01631892
Product Description
Catalog Number:
AG000Z9I
Chemical Name:
Benzoic acid, 4-(4-fluorophenoxy)-
CAS Number:
129623-61-6
Molecular Formula:
C13H9FO3
Molecular Weight:
232.2072
MDL Number:
MFCD01631892
IUPAC Name:
4-(4-fluorophenoxy)benzoic acid
InChI:
InChI=1S/C13H9FO3/c14-10-3-7-12(8-4-10)17-11-5-1-9(2-6-11)13(15)16/h1-8H,(H,15,16)
InChI Key:
YYKALFXKRWCSLY-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)Oc1ccc(cc1)C(=O)O
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.054g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.21g/mol
Monoisotopic Mass:
232.054g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| 4-(4-Fluoro-phen-oxy)benzoic acid. | Acta crystallographica. Section E, Structure reports online 20090801 |
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