| CAS Number | 682757-42-2 |
| Catalog Number | AG019YWO(AGN-PC-0NT1NN) |
| Chemical Name | 3-amino-4-fluoro-N,N-dimethylbenzamide |
| IUPAC Name | 3-amino-4-fluoro-N,N-dimethylbenzamide |
| InChI | InChI=1S/C9H11FN2O/c1-12(2)9(13)6-3-4-7(10)8(11)5-6/h3-5H,11H2,1-2H3 |
| InChI Key | LDHGMDMNTFZOAH-UHFFFAOYSA-N |
| MDL Number | MFCD11934957 |
| Molecular Formula | C9H11FN2O |
| Molecular Weight | 182.1948 |
| SMILES | CN(C(C1=CC(N)=C(F)C=C1)=O)C |
| Synonyms | 3-amino-4-fluoro-N,N-dimethylbenzamide,
682757-42-2,
SCHEMBL5906546,
LDHGMDMNTFZOAH-UHFFFAOYSA-N,
BBL032078,
STL352231,
ZINC32007577,
AKOS009469798,
MCULE-4868028169,
NE53549,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.198g/mol |
| Monoisotopic Mass | 182.086g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number