| CAS Number | 1343967-18-9 |
| Catalog Number | AG01C3ZB |
| Chemical Name | N-[(2-chlorophenyl)methyl]oxetan-3-amine |
| IUPAC Name | N-[(2-chlorophenyl)methyl]oxetan-3-amine |
| InChI | InChI=1S/C10H12ClNO/c11-10-4-2-1-3-8(10)5-12-9-6-13-7-9/h1-4,9,12H,5-7H2 |
| InChI Key | MWKLFUTXXQJRKZ-UHFFFAOYSA-N |
| MDL Number | MFCD18849178 |
| Molecular Formula | C10H12ClNO |
| Molecular Weight | 197.6614 |
| SMILES | ClC1=C(CNC2COC2)C=CC=C1 |
| Synonyms | N-(2-Chlorobenzyl)oxetan-3-amine,
1343967-18-9,
N-[(2-chlorophenyl)methyl]oxetan-3-amine,
ZINC71792157,
AKOS012934459,
KS-6934,
|
| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.662g/mol |
| Monoisotopic Mass | 197.061g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number