| CAS Number | 1379366-41-2 |
| Catalog Number | AG009WWJ(AGN-PC-0WABSY) |
| Chemical Name | 6-Bromo-2,3-dimethoxybenzonitrile |
| IUPAC Name | 6-bromo-2,3-dimethoxybenzonitrile |
| InChI | InChI=1S/C9H8BrNO2/c1-12-8-4-3-7(10)6(5-11)9(8)13-2/h3-4H,1-2H3 |
| InChI Key | NGJUELZZYSTFBR-UHFFFAOYSA-N |
| MDL Number | MFCD18905691 |
| Molecular Formula | C9H8BrNO2 |
| Molecular Weight | 242.0693 |
| SMILES | COc1c(OC)ccc(c1C#N)Br |
| Synonyms | 6-BROMO-2,3-DIMETHOXYBENZONITRILE,
1379366-41-2,
KM4078,
ZINC95495761,
V2789,
C9H8BrNO2,
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| Complexity | 213 |
| 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 | 2 |
| 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
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Certificate of Analysis
Lot Number