| CAS Number | 1420800-17-4 |
| Catalog Number | AG009X1C(AGN-PC-0WA9X9) |
| Chemical Name | 4-Amino-2-ethoxy-5-fluorobenzonitrile |
| IUPAC Name | 4-amino-2-ethoxy-5-fluorobenzonitrile |
| InChI | InChI=1S/C9H9FN2O/c1-2-13-9-4-8(12)7(10)3-6(9)5-11/h3-4H,2,12H2,1H3 |
| InChI Key | JGTVTCUMNOLFRG-UHFFFAOYSA-N |
| MDL Number | MFCD22689093 |
| Molecular Formula | C9H9FN2O |
| Molecular Weight | 180.1790 |
| SMILES | CCOC1=C(C#N)C=C(F)C(N)=C1 |
| Synonyms | 4-AMINO-2-ETHOXY-5-FLUOROBENZONITRILE,
1420800-17-4,
KM3759,
ZINC95217931,
V3141,
C9H9FN2O,
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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 | 180.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.182g/mol |
| Monoisotopic Mass | 180.07g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number