| CAS Number | 1397707-56-0 |
| Catalog Number | AG00HVON(AGN-PC-0WGDUZ) |
| Chemical Name | tert-Butyl (3-bromo-2,2-dimethylpropyl)carbamate |
| IUPAC Name | tert-butyl N-(3-bromo-2,2-dimethylpropyl)carbamate |
| InChI | InChI=1S/C10H20BrNO2/c1-9(2,3)14-8(13)12-7-10(4,5)6-11/h6-7H2,1-5H3,(H,12,13) |
| InChI Key | AGIDVDMCVNOYCM-UHFFFAOYSA-N |
| MDL Number | MFCD24188767 |
| Molecular Formula | C10H20BrNO2 |
| Molecular Weight | 266.1753 |
| SMILES | CC(C)(C)OC(=O)NCC(C)(C)CBr |
| Synonyms | 1397707-56-0,
tert-Butyl (3-bromo-2,2-dimethylpropyl)carbamate,
ZINC168897658,
tert-butyl N-(3-bromo-2,2-dimethylpropyl)carbamate,
tert-Butyl (3-bromo-2,2-dimethylpropyl)carbamate, 95% - 1G 1g,
|
| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.179g/mol |
| Monoisotopic Mass | 265.068g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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