| CAS Number | 1214379-18-6 |
| Catalog Number | AG0014XS(AGN-PC-0WD07U) |
| Chemical Name | Benzoic acid, 2-fluoro-3-nitro-, ethyl ester |
| IUPAC Name | ethyl 2-fluoro-3-nitrobenzoate |
| InChI | InChI=1S/C9H8FNO4/c1-2-15-9(12)6-4-3-5-7(8(6)10)11(13)14/h3-5H,2H2,1H3 |
| InChI Key | MFXTZNGCDRNCKK-UHFFFAOYSA-N |
| MDL Number | MFCD10000916 |
| Molecular Formula | C9H8FNO4 |
| Molecular Weight | 213.1625 |
| SMILES | O=C(OCC)C1=CC=CC([N+]([O-])=O)=C1F |
| Synonyms | Ethyl 2-fluoro-3-nitrobenzoate,
1214379-18-6,
SCHEMBL8991983,
ZINC47202855,
AKOS022182146,
BBV-45172790,
AJ-110694,
AX8218378,
Benzoic acid, 2-fluoro-3-nitro-, ethyl ester,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.164g/mol |
| Monoisotopic Mass | 213.044g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number