| CAS Number | 1099091-63-0 |
| Catalog Number | AG019W52 |
| Chemical Name | 5-fluoro-2-(3-methoxypropanamido)benzoic acid |
| IUPAC Name | 5-fluoro-2-(3-methoxypropanoylamino)benzoic acid |
| InChI | InChI=1S/C11H12FNO4/c1-17-5-4-10(14)13-9-3-2-7(12)6-8(9)11(15)16/h2-3,6H,4-5H2,1H3,(H,13,14)(H,15,16) |
| InChI Key | AVABAPDGUXETSR-UHFFFAOYSA-N |
| MDL Number | MFCD11649320 |
| Molecular Formula | C11H12FNO4 |
| Molecular Weight | 241.2157 |
| SMILES | COCCC(NC1=C(C(O)=O)C=C(F)C=C1)=O |
| Synonyms | 5-fluoro-2-(3-methoxypropanamido)benzoic acid,
1099091-63-0,
AC1Q4FMB,
CTK7B2851,
ZINC36379658,
AKOS009372552,
MCULE-9750513776,
NE55109,
EN300-50545,
Z752370748,
|
| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.218g/mol |
| Monoisotopic Mass | 241.075g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number