| CAS Number | 847729-51-5 |
| Catalog Number | AG00G87W(AGN-PC-07HCQ4) |
| Chemical Name | 5-Chloro-2-(4-fluorophenoxy)benzoic acid |
| IUPAC Name | 5-chloro-2-(4-fluorophenoxy)benzoic acid |
| InChI | InChI=1S/C13H8ClFO3/c14-8-1-6-12(11(7-8)13(16)17)18-10-4-2-9(15)3-5-10/h1-7H,(H,16,17) |
| InChI Key | MTUBNWMHXHNBLO-UHFFFAOYSA-N |
| MDL Number | MFCD13196160 |
| Molecular Formula | C13H8ClFO3 |
| Molecular Weight | 266.6522 |
| SMILES | OC(C1=C(OC2=CC=C(F)C=C2)C=CC(Cl)=C1)=O |
| Synonyms | 5-chloro-2-(4-fluorophenoxy)benzoic acid,
847729-51-5,
2-(4-Fluorophenoxy)-5-chlorobenzoic acid,
5-Chloro-2-(4-fluoro-phenoxy)-benzoic acid,
AC1Q72JQ,
SCHEMBL4448975,
CTK7C0989,
MTUBNWMHXHNBLO-UHFFFAOYSA-N,
3173AJ,
ZINC38342407,
AKOS010742177,
CS-W004470,
MCULE-1657807997,
NE25649,
EN300-54983,
Z1398462040,
C13H8ClFO3,
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| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.652g/mol |
| Monoisotopic Mass | 266.015g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number