| CAS Number | 160658-70-8 |
| Catalog Number | AG01A7G1 |
| Chemical Name | 4-(Dimethylamino)-3-fluorobenzoic acid |
| IUPAC Name | 4-(dimethylamino)-3-fluorobenzoic acid |
| InChI | InChI=1S/C9H10FNO2/c1-11(2)8-4-3-6(9(12)13)5-7(8)10/h3-5H,1-2H3,(H,12,13) |
| InChI Key | ALMADAASYUEHSC-UHFFFAOYSA-N |
| MDL Number | MFCD11156555 |
| Molecular Formula | C9H10FNO2 |
| Molecular Weight | 183.1796 |
| SMILES | CN(C)c1ccc(cc1F)C(=O)O |
| Synonyms | 4-(dimethylamino)-3-fluorobenzoic acid,
160658-70-8,
SCHEMBL9408674,
ZINC20080128,
AKOS000260518,
NE62083,
Z1716711716,
|
| 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 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number