| CAS Number | 62168-42-7 |
| Catalog Number | AG01A28U(AGN-PC-0NBPPK) |
| Chemical Name | 1-Bromo-2,2-dimethylbutane |
| IUPAC Name | 1-bromo-2,2-dimethylbutane |
| InChI | InChI=1S/C6H13Br/c1-4-6(2,3)5-7/h4-5H2,1-3H3 |
| InChI Key | YEAAJBCWOAEKNF-UHFFFAOYSA-N |
| MDL Number | MFCD16860587 |
| Molecular Formula | C6H13Br |
| Molecular Weight | 165.0714 |
| SMILES | CCC(CBr)(C)C |
| Synonyms | 1-bromo-2,2-dimethylbutane,
62168-42-7,
Butane, 1-bromo-2,2-dimethyl-,
SCHEMBL507407,
CTK1I9334,
DTXSID70445984,
ZINC54711049,
AKOS012020728,
NE19119,
1-bromo-2,2-dimethyl-butane,
CID10855838,
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| Complexity | 48.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.074g/mol |
| Monoisotopic Mass | 164.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number