| CAS Number | 209960-86-1 |
| Catalog Number | AG00I40M(AGN-PC-0E4ZCL) |
| Chemical Name | 3-Fluoro-4-(pyrrolidine-1-carbonyl)aniline |
| IUPAC Name | (4-amino-2-fluorophenyl)-pyrrolidin-1-ylmethanone |
| InChI | InChI=1S/C11H13FN2O/c12-10-7-8(13)3-4-9(10)11(15)14-5-1-2-6-14/h3-4,7H,1-2,5-6,13H2 |
| InChI Key | JURATKBVLXAVTN-UHFFFAOYSA-N |
| MDL Number | MFCD16084594 |
| Molecular Formula | C11H13FN2O |
| Molecular Weight | 208.2321 |
| SMILES | NC1=CC(F)=C(C(N2CCCC2)=O)C=C1 |
| Synonyms | 209960-86-1,
3-fluoro-4-(pyrrolidine-1-carbonyl)aniline,
(4-Amino-2-fluorophenyl)(pyrrolidin-1-yl)methanone,
Methanone, (4-amino-2-fluorophenyl)-1-pyrrolidinyl-,
SCHEMBL4724651,
MFCD16084594,
ZINC43570417,
AKOS010976923,
NE60953,
Pyrrolidine, 1-(4-amino-2-fluorobenzoyl)-,
A1-09486,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.236g/mol |
| Monoisotopic Mass | 208.101g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number