| CAS Number | 53744-77-7 |
| Catalog Number | AG01AP46(AGN-PC-02C8O5) |
| Chemical Name | 3-Bromo-2-methylpropanenitrile |
| IUPAC Name | 3-bromo-2-methylpropanenitrile |
| InChI | InChI=1S/C4H6BrN/c1-4(2-5)3-6/h4H,2H2,1H3 |
| InChI Key | ARVAJFOYUNZGNL-UHFFFAOYSA-N |
| MDL Number | MFCD18294624 |
| Molecular Formula | C4H6BrN |
| Molecular Weight | 148.0011 |
| SMILES | CC(C#N)CBr |
| Synonyms | 3-bromo-2-methylpropanenitrile,
53744-77-7,
Propanenitrile, 3-bromo-2-methyl-,
ss-Bromisobutyronitril,
3-Brom-2-methylpropannitril,
SCHEMBL189073,
CTK1E3655,
DTXSID10598463,
AKOS012517505,
Propanenitrile,3-bromo-2-methyl-,
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| Complexity | 70.9 |
| 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 | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number