| CAS Number | 1437794-45-0 |
| Catalog Number | AG00AQHT(AGN-PC-0WA6AS) |
| Chemical Name | 2-Bromo-6-propoxybenzonitrile |
| IUPAC Name | 2-bromo-6-propoxybenzonitrile |
| InChI | InChI=1S/C10H10BrNO/c1-2-6-13-10-5-3-4-9(11)8(10)7-12/h3-5H,2,6H2,1H3 |
| InChI Key | JNOOAWWMEXRZOE-UHFFFAOYSA-N |
| MDL Number | MFCD24448785 |
| Molecular Formula | C10H10BrNO |
| Molecular Weight | 240.0965 |
| SMILES | CCCOc1cccc(c1C#N)Br |
| Synonyms | 2-BROMO-6-PROPOXYBENZONITRILE,
1437794-45-0,
KM3848,
ZINC95495578,
V3272,
C10H10BrNO,
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| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.1g/mol |
| Monoisotopic Mass | 238.995g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number