| CAS Number | 6570-91-8 |
| Catalog Number | AG00FE97(AGN-PC-02SJZA) |
| Chemical Name | 1-Bromo-2,4-dimethylpentane |
| IUPAC Name | 1-bromo-2,4-dimethylpentane |
| InChI | InChI=1S/C7H15Br/c1-6(2)4-7(3)5-8/h6-7H,4-5H2,1-3H3 |
| InChI Key | SQPLOXIDSDCSKA-UHFFFAOYSA-N |
| MDL Number | MFCD20386415 |
| Molecular Formula | C7H15Br |
| Molecular Weight | 179.0980 |
| SMILES | CC(CC(CBr)C)C |
| Synonyms | 1-Bromo-2,4-dimethylpentane,
6570-91-8,
Brom-2.4-dimethylpentan,
SCHEMBL1329633,
CTK1I2029,
DTXSID00605736,
Pentane, 1-bromo-2,4-dimethyl-,
AKOS013999406,
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| Complexity | 50.3 |
| 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 | 3 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number