| CAS Number | 1423037-19-7 |
| Catalog Number | AG009WWN(AGN-PC-0WAA29) |
| Chemical Name | 4-Bromo-2-ethoxy-5-fluorobenzonitrile |
| IUPAC Name | 4-bromo-2-ethoxy-5-fluorobenzonitrile |
| InChI | InChI=1S/C9H7BrFNO/c1-2-13-9-4-7(10)8(11)3-6(9)5-12/h3-4H,2H2,1H3 |
| InChI Key | RFQMRYFIZBEFEH-UHFFFAOYSA-N |
| MDL Number | MFCD23135913 |
| Molecular Formula | C9H7BrFNO |
| Molecular Weight | 244.0604 |
| SMILES | CCOc1cc(Br)c(cc1C#N)F |
| Synonyms | 4-BROMO-2-ETHOXY-5-FLUOROBENZONITRILE,
1423037-19-7,
KM3760,
ZINC95217936,
V3179,
C9H7BrFNO,
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| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.063g/mol |
| Monoisotopic Mass | 242.97g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number