| CAS Number | 603068-40-2 |
| Catalog Number | AG00F7WY(AGN-PC-0L2JM4) |
| Chemical Name | 2-(2-Fluorophenyl)-4-methylpyrrolidine |
| IUPAC Name | 2-(2-fluorophenyl)-4-methylpyrrolidine |
| InChI | InChI=1S/C11H14FN/c1-8-6-11(13-7-8)9-4-2-3-5-10(9)12/h2-5,8,11,13H,6-7H2,1H3 |
| InChI Key | HMNRMNSUXLYVTH-UHFFFAOYSA-N |
| MDL Number | MFCD05214948 |
| Molecular Formula | C11H14FN |
| Molecular Weight | 179.2340 |
| SMILES | CC1CC(C2=C(F)C=CC=C2)NC1 |
| Synonyms | 2-(2-fluorophenyl)-4-methylpyrrolidine,
603068-40-2,
AC1N0LAG,
Pyrrolidine, 2-(2-fluorophenyl)-4-methyl- (9CI),
AKOS013569614,
MCULE-8179310305,
NE27536,
EN300-93306,
Z1267882008,
Pyrrolidine,2- -4-methyl-,
CID3939614,
2-(2-fluorophenyl)-4-methyl-pyrrolidine,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.238g/mol |
| Monoisotopic Mass | 179.111g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number