| CAS Number | 1178234-49-5 |
| Catalog Number | AG019SD0 |
| Chemical Name | 5-(2,2-dimethylpropanamido)-2-fluorobenzoic acid |
| IUPAC Name | 5-(2,2-dimethylpropanoylamino)-2-fluorobenzoic acid |
| InChI | InChI=1S/C12H14FNO3/c1-12(2,3)11(17)14-7-4-5-9(13)8(6-7)10(15)16/h4-6H,1-3H3,(H,14,17)(H,15,16) |
| InChI Key | QMWGYGNMRYJPEV-UHFFFAOYSA-N |
| MDL Number | MFCD12651524 |
| Molecular Formula | C12H14FNO3 |
| Molecular Weight | 239.2429 |
| SMILES | CC(C(NC1=CC(C(O)=O)=C(F)C=C1)=O)(C)C |
| Synonyms | 5-(2,2-dimethylpropanamido)-2-fluorobenzoic acid,
1178234-49-5,
ZINC37402711,
AKOS009272478,
MCULE-7766097726,
NE41031,
EN300-93186,
Z364321906,
|
| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.246g/mol |
| Monoisotopic Mass | 239.096g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number