| CAS Number | 1881295-79-9 |
| Catalog Number | AG00I29U(AGN-PC-0WR811) |
| Chemical Name | tert-Butyl N-(3-bromophenyl)-N-propylcarbamate |
| IUPAC Name | tert-butyl N-(3-bromophenyl)-N-propylcarbamate |
| InChI | InChI=1S/C14H20BrNO2/c1-5-9-16(13(17)18-14(2,3)4)12-8-6-7-11(15)10-12/h6-8,10H,5,9H2,1-4H3 |
| InChI Key | YEMSWEURQVTORB-UHFFFAOYSA-N |
| MDL Number | MFCD29043955 |
| Molecular Formula | C14H20BrNO2 |
| Molecular Weight | 314.2181 |
| SMILES | CCCN(c1cccc(c1)Br)C(=O)OC(C)(C)C |
| Synonyms | TERT-BUTYL N-(3-BROMOPHENYL)-N-PROPYLCARBAMATE,
1881295-79-9,
ZINC261494461,
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| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 313.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.223g/mol |
| Monoisotopic Mass | 313.068g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
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Certificate of Analysis
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