| CAS Number | 7371-94-0 |
| Catalog Number | AG00FLDL(AGN-PC-0013SQ) |
| Chemical Name | 2-[4-(bromomethyl)phenyl]acetonitrile |
| IUPAC Name | 2-[4-(bromomethyl)phenyl]acetonitrile |
| InChI | InChI=1S/C9H8BrN/c10-7-9-3-1-8(2-4-9)5-6-11/h1-4H,5,7H2 |
| InChI Key | ZXWFTUPJHKAEHY-UHFFFAOYSA-N |
| MDL Number | MFCD12756803 |
| Molecular Formula | C9H8BrN |
| Molecular Weight | 210.0705 |
| SMILES | N#CCC1=CC=C(CBr)C=C1 |
| Synonyms | 2-(4-(bromomethyl)phenyl)acetonitrile,
2-[4-(bromomethyl)phenyl]acetonitrile,
7371-94-0,
4-bromomethylphenyl acetonitrile,
4-bromomethylbenzylcyanide,
4-cyanomethylbenzyl bromide,
SCHEMBL200320,
ZXWFTUPJHKAEHY-UHFFFAOYSA-N,
(4-bromomethyl-phenyl)-acetonitrile,
ZINC34276041,
FCH1376355,
BBV-40252462,
EN300-250526,
|
| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.074g/mol |
| Monoisotopic Mass | 208.984g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number