| CAS Number | 96394-42-2 |
| Catalog Number | AG01DWXE(AGN-PC-07NGYX) |
| Chemical Name | tert-Butyl N-(2-bromoacetyl)carbamate |
| IUPAC Name | tert-butyl N-(2-bromoacetyl)carbamate |
| InChI | InChI=1S/C7H12BrNO3/c1-7(2,3)12-6(11)9-5(10)4-8/h4H2,1-3H3,(H,9,10,11) |
| InChI Key | PIBOUPWSAWJWMG-UHFFFAOYSA-N |
| MDL Number | MFCD00037425 |
| Molecular Formula | C7H12BrNO3 |
| Molecular Weight | 238.0791 |
| SMILES | CC(OC(NC(CBr)=O)=O)(C)C |
| Synonyms | tert-butyl N-(2-bromoacetyl)carbamate,
96394-42-2,
SCHEMBL3755847,
PIBOUPWSAWJWMG-UHFFFAOYSA-N,
(2-bromo-acetyl)-carbamic acid tert-butyl ester,
tert-butyl (2-bromoacetyl)carbamate,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.00006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.08g/mol |
| Monoisotopic Mass | 237.00006g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number