| CAS Number | 1233954-79-4 |
| Catalog Number | AG00HH9B |
| Chemical Name | 2-Ethoxy-1-fluoro-3-nitrobenzene |
| IUPAC Name | 2-ethoxy-1-fluoro-3-nitrobenzene |
| InChI | InChI=1S/C8H8FNO3/c1-2-13-8-6(9)4-3-5-7(8)10(11)12/h3-5H,2H2,1H3 |
| InChI Key | FWCUZYLXWCEXQT-UHFFFAOYSA-N |
| MDL Number | MFCD17014041 |
| Molecular Formula | C8H8FNO3 |
| Molecular Weight | 185.1524 |
| SMILES | CCOC1=C(C=CC=C1[N+](=O)[O-])F |
| Synonyms | 2-Ethoxy-1-fluoro-3-nitrobenzene,
1233954-79-4,
FWCUZYLXWCEXQT-UHFFFAOYSA-N,
ZINC67800613,
AKOS026671655,
KS-5484,
1-ETHOXY-2-FLUORO-6-NITROBENZENE,
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| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.154g/mol |
| Monoisotopic Mass | 185.049g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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