| CAS Number | 1021000-12-3 |
| Catalog Number | AG009OZI |
| Chemical Name | 4-(3-Fluorophenoxy)-benzoic acid |
| IUPAC Name | 4-(3-fluorophenoxy)benzoic acid |
| InChI | InChI=1S/C13H9FO3/c14-10-2-1-3-12(8-10)17-11-6-4-9(5-7-11)13(15)16/h1-8H,(H,15,16) |
| InChI Key | ZWHZLANMZIXBQC-UHFFFAOYSA-N |
| MDL Number | MFCD11156623 |
| Molecular Formula | C13H9FO3 |
| Molecular Weight | 232.2072 |
| SMILES | C1=CC(=CC(=C1)F)OC2=CC=C(C=C2)C(=O)O |
| Synonyms | 4-(3-fluorophenoxy)benzoic acid,
1021000-12-3,
4-(3-Fluorophenoxy)-benzoic acid,
AC1Q73FJ,
SCHEMBL3128289,
ZWHZLANMZIXBQC-UHFFFAOYSA-N,
ZINC20080790,
AKOS000264417,
MCULE-7834480768,
NE43940,
EN300-62274,
|
| Complexity | 261 |
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number