| CAS Number | 1225439-46-2 |
| Catalog Number | AG01A3HZ(AGN-PC-0WO9JU) |
| Chemical Name | tert-Butyl 3-(2-fluorophenyl)-3-hydroxyazetidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-(2-fluorophenyl)-3-hydroxyazetidine-1-carboxylate |
| InChI | InChI=1S/C14H18FNO3/c1-13(2,3)19-12(17)16-8-14(18,9-16)10-6-4-5-7-11(10)15/h4-7,18H,8-9H2,1-3H3 |
| InChI Key | FRIZRDYXAXLHSI-UHFFFAOYSA-N |
| MDL Number | MFCD21596789 |
| Molecular Formula | C14H18FNO3 |
| Molecular Weight | 267.2960 |
| SMILES | c1cccc(c1F)C1(O)CN(C1)C(=O)OC(C)(C)C |
| Synonyms | TERT-BUTYL 3-(2-FLUOROPHENYL)-3-HYDROXYAZETIDINE-1-CARBOXYLATE,
1225439-46-2,
SCHEMBL1310464,
FRIZRDYXAXLHSI-UHFFFAOYSA-N,
MFCD21596789,
ZINC89644145,
AKOS015261952,
NE52246,
SB22395,
AS-42451,
CS-0057019,
3-(2-fluorophenyl)-3-hydroxy-1-(tert-butoxycarbonyl)azetidine,
t-Butyl 3-(2-fluorophenyl)-3-hydroxyazetidine-1-carboxylate,
3-(2-fluorophenyl)-3-hydroxy-1-(tert-butoxycarbonyl)-azetidine,
|
| Complexity | 347 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.3g/mol |
| Monoisotopic Mass | 267.127g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number