| CAS Number | 59825-56-8 |
| Catalog Number | AG019WLE(AGN-PC-02A23F) |
| Chemical Name | 2-(2-Bromoethoxy)benzonitrile |
| IUPAC Name | 2-(2-bromoethoxy)benzonitrile |
| InChI | InChI=1S/C9H8BrNO/c10-5-6-12-9-4-2-1-3-8(9)7-11/h1-4H,5-6H2 |
| InChI Key | PKMYDQVQJFGGBW-UHFFFAOYSA-N |
| MDL Number | MFCD09817367 |
| Molecular Formula | C9H8BrNO |
| Molecular Weight | 226.0699 |
| SMILES | BrCCOC1=C(C#N)C=CC=C1 |
| Synonyms | 2-(2-bromoethoxy)benzonitrile,
59825-56-8,
EN300-52305,
AC1Q27ZT,
SCHEMBL11748737,
CTK5J0413,
ZINC19416022,
AKOS000169624,
BBV-058877,
FCH5003572,
NE22048,
DA-19282,
FT-0724763,
|
| Complexity | 175 |
| 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 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number