| CAS Number | 1233952-97-0 |
| Catalog Number | AG00HH9A |
| Chemical Name | 1-Ethoxy-3-fluoro-2-nitrobenzene |
| IUPAC Name | 1-ethoxy-3-fluoro-2-nitrobenzene |
| InChI | InChI=1S/C8H8FNO3/c1-2-13-7-5-3-4-6(9)8(7)10(11)12/h3-5H,2H2,1H3 |
| InChI Key | QPCBMQYUILGWJC-UHFFFAOYSA-N |
| MDL Number | MFCD13689265 |
| Molecular Formula | C8H8FNO3 |
| Molecular Weight | 185.1524 |
| SMILES | C(C)OC1=C(C(=CC=C1)F)[N+](=O)[O-] |
| Synonyms | 1-Ethoxy-3-fluoro-2-nitrobenzene,
1233952-97-0,
ZINC54268893,
AKOS011959134,
KS-5441,
NE15766,
|
| 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
Certificate of Analysis
Lot Number