| CAS Number | 1423027-87-5 |
| Catalog Number | AG01A2N2 |
| Chemical Name | 2-(4-Iodophenyl)pyrrolidine hydrochloride |
| IUPAC Name | 2-(4-iodophenyl)pyrrolidine;hydrochloride |
| InChI | InChI=1S/C10H12IN.ClH/c11-9-5-3-8(4-6-9)10-2-1-7-12-10;/h3-6,10,12H,1-2,7H2;1H |
| InChI Key | GMIBOSAPGGIPCF-UHFFFAOYSA-N |
| MDL Number | MFCD22628361 |
| Molecular Formula | C10H13ClIN |
| Molecular Weight | 309.5744 |
| SMILES | Cl.IC1=CC=C(C2NCCC2)C=C1 |
| Synonyms | 2-(4-iodophenyl)pyrrolidine hydrochloride,
1423027-87-5,
NE26161,
|
| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 308.978g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 309.575g/mol |
| Monoisotopic Mass | 308.978g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number