| CAS Number | 1934887-58-7 |
| Catalog Number | AG01BETW |
| Chemical Name | 2-bromo-5-(methoxymethoxy)benzonitrile |
| IUPAC Name | 2-bromo-5-(methoxymethoxy)benzonitrile |
| InChI | InChI=1S/C9H8BrNO2/c1-12-6-13-8-2-3-9(10)7(4-8)5-11/h2-4H,6H2,1H3 |
| InChI Key | NNYJJGMMVUYLDK-UHFFFAOYSA-N |
| MDL Number | MFCD31420673 |
| Molecular Formula | C9H8BrNO2 |
| Molecular Weight | 242.0693 |
| SMILES | COCOC1=CC(C#N)=C(Br)C=C1 |
| Synonyms | 2-bromo-5-(methoxymethoxy)benzonitrile,
1934887-58-7,
AKOS034082986,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.072g/mol |
| Monoisotopic Mass | 240.974g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number