| CAS Number | 1256502-68-7 |
| Catalog Number | AG01A0Y5 |
| Chemical Name | 4-(Dimethylamino)-2-fluorobenzoic acid |
| IUPAC Name | 4-(dimethylamino)-2-fluorobenzoic acid |
| InChI | InChI=1S/C9H10FNO2/c1-11(2)6-3-4-7(9(12)13)8(10)5-6/h3-5H,1-2H3,(H,12,13) |
| InChI Key | KJGTURFYFFKUDK-UHFFFAOYSA-N |
| MDL Number | MFCD22565857 |
| Molecular Formula | C9H10FNO2 |
| Molecular Weight | 183.1796 |
| SMILES | CN(C1=CC(F)=C(C(O)=O)C=C1)C |
| Synonyms | 4-(dimethylamino)-2-fluorobenzoic acid,
1256502-68-7,
ZINC75852041,
AKOS019616534,
MCULE-4491122889,
NE20958,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.182g/mol |
| Monoisotopic Mass | 183.07g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number