| CAS Number | 1447464-06-3 |
| Catalog Number | AG00HX74 |
| Chemical Name | TERT-BUTYL 3-(3,4-DICHLOROPHENYL)-3-HYDROXYAZETIDINE-1-CARBOXYLATE |
| IUPAC Name | tert-butyl 3-(3,4-dichlorophenyl)-3-hydroxyazetidine-1-carboxylate |
| InChI | InChI=1S/C14H17Cl2NO3/c1-13(2,3)20-12(18)17-7-14(19,8-17)9-4-5-10(15)11(16)6-9/h4-6,19H,7-8H2,1-3H3 |
| InChI Key | KZRHEIVHULSKGM-UHFFFAOYSA-N |
| MDL Number | MFCD26407293 |
| Molecular Formula | C14H17Cl2NO3 |
| Molecular Weight | 318.1957 |
| SMILES | CC(C)(C)OC(=O)N1CC(O)(C1)C1=CC(Cl)=C(Cl)C=C1 |
| Synonyms | TERT-BUTYL 3-(3,4-DICHLOROPHENYL)-3-HYDROXYAZETIDINE-1-CARBOXYLATE,
1447464-06-3,
MFCD26407293,
ZINC89643809,
AKOS015262800,
AS-42452,
X-1934,
|
| Complexity | 377 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 317.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.194g/mol |
| Monoisotopic Mass | 317.059g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number