| CAS Number | 1956319-67-7 |
| Catalog Number | AG01DTW0(AGN-PC-3H45CL) |
| Chemical Name | 1-Benzhydryl-3-(iodomethyl)azetidine |
| IUPAC Name | 1-benzhydryl-3-(iodomethyl)azetidine |
| InChI | InChI=1S/C17H18IN/c18-11-14-12-19(13-14)17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14,17H,11-13H2 |
| InChI Key | CMRGSYGLIJSXFC-UHFFFAOYSA-N |
| MDL Number | MFCD28991812 |
| Molecular Formula | C17H18IN |
| Molecular Weight | 363.2360 |
| SMILES | ICC1CN(C1)C(c1ccccc1)c1ccccc1 |
| Synonyms | 1-Benzhydryl-3-(iodomethyl)azetidine,
1956319-67-7,
MFCD28991812,
AKOS027256379,
ZINC261506927,
CS-0039972,
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| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 363.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 363.242g/mol |
| Monoisotopic Mass | 363.048g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 3.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
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Certificate of Analysis
Lot Number