| CAS Number | 17200-53-2 |
| Catalog Number | AG01A3FL(AGN-PC-00GIQF) |
| Chemical Name | 2-(Bromomethyl)prop-2-enenitrile |
| IUPAC Name | 2-(bromomethyl)prop-2-enenitrile |
| InChI | InChI=1S/C4H4BrN/c1-4(2-5)3-6/h1-2H2 |
| InChI Key | YSTRHMIYRJIYSV-UHFFFAOYSA-N |
| MDL Number | MFCD20621295 |
| Molecular Formula | C4H4BrN |
| Molecular Weight | 145.9853 |
| SMILES | C=C(CBr)C#N |
| Synonyms | 2-(bromomethyl)prop-2-enenitrile,
17200-53-2,
alpha-(bromomethyl)acrylonitrile,
2-Bromomethylacrylonitrile,
SCHEMBL1001752,
ZINC36447870,
AKOS022634211,
NE21400,
CID11804897,
|
| Complexity | 97.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 144.953g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 6 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 145.987g/mol |
| Monoisotopic Mass | 144.953g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number