| CAS Number | 1033201-71-6 |
| Catalog Number | AG007XU9(AGN-PC-0WNO07) |
| Chemical Name | 3-Ethoxy-2-fluorobenzoic acid |
| IUPAC Name | 3-ethoxy-2-fluorobenzoic acid |
| InChI | InChI=1S/C9H9FO3/c1-2-13-7-5-3-4-6(8(7)10)9(11)12/h3-5H,2H2,1H3,(H,11,12) |
| InChI Key | CQWCJEMORPCATH-UHFFFAOYSA-N |
| MDL Number | MFCD10699646 |
| Molecular Formula | C9H9FO3 |
| Molecular Weight | 184.1644 |
| SMILES | O=C(O)C1=CC=CC(OCC)=C1F |
| Synonyms | 3-Ethoxy-2-fluorobenzoic acid,
1033201-71-6,
ACMC-20985u,
SCHEMBL2592081,
CTK4A1953,
DTXSID30674470,
CQWCJEMORPCATH-UHFFFAOYSA-N,
0793AA,
ANW-14848,
FCH882496,
ZINC38537028,
AKOS006302971,
RTR-000758,
AJ-95814,
AX8242958,
TR-000758,
A-4244,
I01-11358,
3-Ethoxy-2-fluorobenzoicacid,
C9H9FO3,
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| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.166g/mol |
| Monoisotopic Mass | 184.054g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number