| CAS Number | 1033202-20-8 |
| Catalog Number | AG008STV(AGN-PC-0WNPJV) |
| Chemical Name | 3-Ethoxy-2-fluorobenzonitrile |
| IUPAC Name | 3-ethoxy-2-fluorobenzonitrile |
| InChI | InChI=1S/C9H8FNO/c1-2-12-8-5-3-4-7(6-11)9(8)10/h3-5H,2H2,1H3 |
| InChI Key | NRUNOKNBZYDSTD-UHFFFAOYSA-N |
| MDL Number | MFCD10699689 |
| Molecular Formula | C9H8FNO |
| Molecular Weight | 165.1643 |
| SMILES | CCOc1cccc(c1F)C#N |
| Synonyms | 3-ETHOXY-2-FLUOROBENZONITRILE,
1033202-20-8,
ACMC-20986e,
SCHEMBL1579020,
CTK4A1971,
DTXSID30674435,
ANW-14868,
FCH882505,
MFCD10699689,
ZINC38537002,
AKOS006303209,
RTR-000778,
AJ-95796,
CJ-19319,
AX8209021,
TR-000778,
Z6634,
A-4260,
I01-11357,
C9H8FNO,
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| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.167g/mol |
| Monoisotopic Mass | 165.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number