| CAS Number | 1517445-69-0 |
| Catalog Number | AG01BDHM |
| Chemical Name | tert-butyl N-[2-(2-chloroethoxy)ethyl]carbamate |
| IUPAC Name | tert-butyl N-[2-(2-chloroethoxy)ethyl]carbamate |
| InChI | InChI=1S/C9H18ClNO3/c1-9(2,3)14-8(12)11-5-7-13-6-4-10/h4-7H2,1-3H3,(H,11,12) |
| InChI Key | CQKNBFSGUYYDSR-UHFFFAOYSA-N |
| MDL Number | MFCD24163491 |
| Molecular Formula | C9H18ClNO3 |
| Molecular Weight | 223.6971 |
| SMILES | CC(OC(NCCOCCCl)=O)(C)C |
| Synonyms | tert-butyl N-[2-(2-chloroethoxy)ethyl]carbamate,
1517445-69-0,
ZINC96300713,
NE17524,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.697g/mol |
| Monoisotopic Mass | 223.098g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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