| CAS Number | 101207-62-9 |
| Catalog Number | AG01A1F9(AGN-PC-00ND4V) |
| Chemical Name | 3-(BRomomethyl)-4-methoxybenzonitrile |
| IUPAC Name | 3-(bromomethyl)-4-methoxybenzonitrile |
| InChI | InChI=1S/C9H8BrNO/c1-12-9-3-2-7(6-11)4-8(9)5-10/h2-4H,5H2,1H3 |
| InChI Key | FMGIAMOOHWQISI-UHFFFAOYSA-N |
| MDL Number | MFCD18392035 |
| Molecular Formula | C9H8BrNO |
| Molecular Weight | 226.0699 |
| SMILES | COC1=C(CBr)C=C(C#N)C=C1 |
| Synonyms | 3-(bromomethyl)-4-methoxybenzonitrile,
101207-62-9,
SCHEMBL7363416,
5-Cyano-2-methoxybenzyl bromide,
FMGIAMOOHWQISI-UHFFFAOYSA-N,
3-bromomethyl-4-methoxybenzonitrile,
ZINC34118880,
AKOS017552546,
FCH1370229,
NE29385,
BBV-40246336,
OR400577,
EN300-113389,
|
| Complexity | 186 |
| 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 | 2 |
| 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