| CAS Number | 1203683-15-1 |
| Catalog Number | AG01DM4N |
| Chemical Name | methyl 4-(azetidin-3-yl)benzoate hydrochloride |
| IUPAC Name | methyl 4-(azetidin-3-yl)benzoate;hydrochloride |
| InChI | InChI=1S/C11H13NO2.ClH/c1-14-11(13)9-4-2-8(3-5-9)10-6-12-7-10;/h2-5,10,12H,6-7H2,1H3;1H |
| InChI Key | MUGVJLYWPHZXCX-UHFFFAOYSA-N |
| MDL Number | MFCD08460694 |
| Molecular Formula | C11H14ClNO2 |
| Molecular Weight | 227.6874 |
| SMILES | COC(=O)C1=CC=C(C=C1)C2CNC2.Cl |
| Synonyms | METHYL 4-(AZETIDIN-3-YL)BENZOATE HCL,
METHYL 4-(AZETIDIN-3-YL)BENZOATE HYDROCHLORIDE,
1203683-15-1,
1203797-93-6,
SCHEMBL15240346,
MFCD08460694,
AS-42597,
SC-68698,
FT-0747793,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.688g/mol |
| Monoisotopic Mass | 227.071g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number