| CAS Number | 1412902-71-6 |
| Catalog Number | AG01ANCW |
| Chemical Name | 1-(3-Iodophenyl)pyrrolidine |
| IUPAC Name | 1-(3-iodophenyl)pyrrolidine |
| InChI | InChI=1S/C10H12IN/c11-9-4-3-5-10(8-9)12-6-1-2-7-12/h3-5,8H,1-2,6-7H2 |
| InChI Key | QDIBLUKQSRZPKN-UHFFFAOYSA-N |
| MDL Number | MFCD24133892 |
| Molecular Formula | C10H12IN |
| Molecular Weight | 273.1134 |
| SMILES | IC1=CC(N2CCCC2)=CC=C1 |
| Synonyms | 1-(3-iodophenyl)pyrrolidine,
1412902-71-6,
SCHEMBL13256155,
Pyrrolidine, 1-(3-iodophenyl)-,
AKOS020188999,
ZINC124186271,
FT-0727578,
Z2234185666,
|
| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.117g/mol |
| Monoisotopic Mass | 273.001g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 3.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number