| CAS Number | 1820684-39-6 |
| Catalog Number | AG00I0TO |
| Chemical Name | 1-Benzyl-3,3-bis(chloromethyl)azetidine hydrochloride |
| IUPAC Name | 1-benzyl-3,3-bis(chloromethyl)azetidine;hydrochloride |
| InChI | InChI=1S/C12H15Cl2N.ClH/c13-7-12(8-14)9-15(10-12)6-11-4-2-1-3-5-11;/h1-5H,6-10H2;1H |
| InChI Key | WFMBIYVXKYXRHZ-UHFFFAOYSA-N |
| MDL Number | MFCD26523336 |
| Molecular Formula | C12H16Cl3N |
| Molecular Weight | 280.6211 |
| SMILES | ClCC1(CCl)CN(C1)Cc1ccccc1.Cl |
| Synonyms | 1-BENZYL-3,3-BIS(CHLOROMETHYL)AZETIDINE HYDROCHLORIDE,
1820684-39-6,
C12H15Cl2N.ClH,
KM4094,
AKOS027362199,
W2869,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.617g/mol |
| Monoisotopic Mass | 279.035g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 3.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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