| CAS Number | 374-04-9 |
| Catalog Number | AG019GFW(AGN-PC-0NKTFO) |
| Chemical Name | 2-Bromo-1,1,1-trifluoro-2-methylpropane |
| IUPAC Name | 2-bromo-1,1,1-trifluoro-2-methylpropane |
| InChI | InChI=1S/C4H6BrF3/c1-3(2,5)4(6,7)8/h1-2H3 |
| InChI Key | QZHKPNGHZXEFHM-UHFFFAOYSA-N |
| MDL Number | MFCD20233106 |
| Molecular Formula | C4H6BrF3 |
| Molecular Weight | 190.9896 |
| SMILES | CC(C)(C(F)(F)F)Br |
| Synonyms | 2-Bromo-1,1,1-trifluoro-2-methyl-propane,
374-04-9,
2-Bromo-1,1,1-trifluoro-2-methylpropane,
SCHEMBL19231703,
DTXSID10577652,
MFCD20233106,
ZINC71791919,
Propane, 2-bromo-1,1,1-trifluoro-2-methyl-,
|
| Complexity | 83.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.991g/mol |
| Monoisotopic Mass | 189.96g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number