| CAS Number | 374589-01-2 |
| Catalog Number | AG00I7DC |
| Chemical Name | 3,4-Dihydro-5-(4-iodophenyl)-2H-pyrrole |
| IUPAC Name | 5-(4-iodophenyl)-3,4-dihydro-2H-pyrrole |
| InChI | InChI=1S/C10H10IN/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h3-6H,1-2,7H2 |
| InChI Key | VJEVKULFTGWIDO-UHFFFAOYSA-N |
| MDL Number | MFCD14583010 |
| Molecular Formula | C10H10IN |
| Molecular Weight | 271.0976 |
| SMILES | Ic1ccc(cc1)C1=NCCC1 |
| Synonyms | 3,4-Dihydro-5-(4-iodophenyl)-2H-pyrrole,
374589-01-2,
5-(4-iodophenyl)-3,4-dihydro-2H-pyrrole,
2-(4-Iodophenyl)-1-pyrroline,
MFCD14583010,
ZINC38340567,
CID11184817,
2-(4-iodophenyl)-4,5-dihydro-3H-pyrrole,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.101g/mol |
| Monoisotopic Mass | 270.986g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number