| CAS Number | 1092078-26-6 |
| Catalog Number | AG01AANA |
| Chemical Name | 2-[4-(bromomethyl)phenoxy]acetonitrile |
| IUPAC Name | 2-[4-(bromomethyl)phenoxy]acetonitrile |
| InChI | InChI=1S/C9H8BrNO/c10-7-8-1-3-9(4-2-8)12-6-5-11/h1-4H,6-7H2 |
| InChI Key | OPXUFAFXIWROQU-UHFFFAOYSA-N |
| MDL Number | MFCD11180381 |
| Molecular Formula | C9H8BrNO |
| Molecular Weight | 226.0699 |
| SMILES | BrCC1=CC=C(OCC#N)C=C1 |
| Synonyms | 2-[4-(bromomethyl)phenoxy]acetonitrile,
EN300-69068,
1092078-26-6,
AC1Q27N9,
SCHEMBL19948940,
[4-(Bromomethyl)phenoxy]acetonitrile,
ZINC36894662,
FCH5006184,
NE58433,
BBV-2082344,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.073g/mol |
| Monoisotopic Mass | 224.979g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number