| CAS Number | 41658-69-9 |
| Catalog Number | AG00VUVW(AGN-PC-00KUAD) |
| Chemical Name | 2-Bromo-2-methylpropanenitrile |
| IUPAC Name | 2-bromo-2-methylpropanenitrile |
| InChI | InChI=1S/C4H6BrN/c1-4(2,5)3-6/h1-2H3 |
| InChI Key | XDSDCTDECRVDTB-UHFFFAOYSA-N |
| MDL Number | MFCD25984182 |
| Molecular Formula | C4H6BrN |
| Molecular Weight | 148.0011 |
| SMILES | N#CC(Br)(C)C |
| Synonyms | 2-bromo-2-methylpropanenitrile,
41658-69-9,
Propanenitrile, 2-bromo-2-methyl-,
a-bromoisobutyronitrile,
2-bromo-2-cyanopropane,
2-bromo-2-methylpropionitrile,
SCHEMBL678370,
CTK1D3701,
DTXSID40517869,
ZINC39392558,
AKOS016354797,
MCULE-3037751424,
NE17196,
NS-01128,
Propanenitrile,2-bromo-2-methyl-,
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| Complexity | 87 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 146.968g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 6 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 148.003g/mol |
| Monoisotopic Mass | 146.968g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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