| CAS Number | 150368-36-8 |
| Catalog Number | AG01DM6U(AGN-PC-03ZMU0) |
| Chemical Name | Ethyl 2,6-difluoro-3-nitrobenzoate |
| IUPAC Name | ethyl 2,6-difluoro-3-nitrobenzoate |
| InChI | InChI=1S/C9H7F2NO4/c1-2-16-9(13)7-5(10)3-4-6(8(7)11)12(14)15/h3-4H,2H2,1H3 |
| InChI Key | NOIKETTVAGMFKJ-UHFFFAOYSA-N |
| MDL Number | MFCD11042827 |
| Molecular Formula | C9H7F2NO4 |
| Molecular Weight | 231.153 |
| SMILES | O=C(OCC)C1=C(F)C=CC([N+]([O-])=O)=C1F |
| Synonyms | ethyl 2,6-difluoro-3-nitrobenzoate,
150368-36-8,
SCHEMBL5434215,
NOIKETTVAGMFKJ-UHFFFAOYSA-N,
MFCD11042827,
ZINC35333443,
AS-47187,
|
| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.155g/mol |
| Monoisotopic Mass | 231.034g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number