| CAS Number | 364-51-2 |
| Catalog Number | AG00CJ2C(AGN-PC-0NDZW8) |
| Chemical Name | Ethyl 5-fluoro-2-nitrobenzoate |
| IUPAC Name | ethyl 5-fluoro-2-nitrobenzoate |
| InChI | InChI=1S/C9H8FNO4/c1-2-15-9(12)7-5-6(10)3-4-8(7)11(13)14/h3-5H,2H2,1H3 |
| InChI Key | LNFCVLHYTOGQEK-UHFFFAOYSA-N |
| MDL Number | MFCD06204441 |
| Molecular Formula | C9H8FNO4 |
| Molecular Weight | 213.1625 |
| SMILES | C1(C=C(C=CC=1[N+](=O)[O-])F)C(OCC)=O |
| Synonyms | Ethyl 5-fluoro-2-nitrobenzoate,
364-51-2,
SCHEMBL8991922,
CTK8I4296,
DTXSID40450909,
LNFCVLHYTOGQEK-UHFFFAOYSA-N,
4627AB,
ZINC34590704,
AKOS010097048,
AB23222,
AJ-89589,
DB-069375,
FT-0749188,
5-FLUORO-2-NITROBENZOIC ACID ETHYL ESTER,
I01-16601,
C9H8FNO4,
Ethyl5-fluoro-2-nitrobenzoate,
Ethyl 5-fluoro-2-nitro-benzoate,
CID10987604,
5-FLUORO-2-NITROBENZOICACIDETHYLESTER,
|
| 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 | 2.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number