| CAS Number | 959081-93-7 |
| Catalog Number | AG01A3MW(AGN-PC-0WONEL) |
| Chemical Name | 1,2-Dimethoxy-4-fluoro-5-nitrobenzene |
| IUPAC Name | 1-fluoro-4,5-dimethoxy-2-nitrobenzene |
| InChI | InChI=1S/C8H8FNO4/c1-13-7-3-5(9)6(10(11)12)4-8(7)14-2/h3-4H,1-2H3 |
| InChI Key | BUMDYIAERBGUID-UHFFFAOYSA-N |
| MDL Number | MFCD12174740 |
| Molecular Formula | C8H8FNO4 |
| Molecular Weight | 201.1518 |
| SMILES | O=[N+](C1=CC(OC)=C(OC)C=C1F)[O-] |
| Synonyms | 1-Fluoro-4,5-dimethoxy-2-nitrobenzene,
BUMDYIAERBGUID-UHFFFAOYSA-N,
959081-93-7,
1,2-Dimethoxy-4-fluoro-5-nitrobenzene,
4-Fluoro-5-nitroveratrole,
AC1LCXGV,
SCHEMBL1766175,
ZINC32234961,
AKOS009493277,
NE29472,
1-Fluoro-4,5-dimethoxy-2-nitrobenzene #,
CID608425,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.153g/mol |
| Monoisotopic Mass | 201.044g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number