| CAS Number | 101419-71-0 |
| Catalog Number | AG01BE0C(AGN-PC-0NV7D0) |
| Chemical Name | 1-Bromo-2,2,3-trimethylbutane |
| IUPAC Name | 1-bromo-2,2,3-trimethylbutane |
| InChI | InChI=1S/C7H15Br/c1-6(2)7(3,4)5-8/h6H,5H2,1-4H3 |
| InChI Key | POFXUQKSFQVMLD-UHFFFAOYSA-N |
| MDL Number | MFCD20629973 |
| Molecular Formula | C7H15Br |
| Molecular Weight | 179.0980 |
| SMILES | CC(C)C(C)(C)CBr |
| Synonyms | 1-bromo-2,2,3-trimethylbutane,
101419-71-0,
ZINC83822251,
AKOS017531542,
|
| Complexity | 64.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.101g/mol |
| Monoisotopic Mass | 178.036g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number