| CAS Number | 169339-41-7 |
| Catalog Number | AG00HZAP(AGN-PC-0N4JB4) |
| Chemical Name | Benzeneacetic acid, 3-fluoro-4-nitro-, methyl ester |
| IUPAC Name | methyl 2-(3-fluoro-4-nitrophenyl)acetate |
| InChI | InChI=1S/C9H8FNO4/c1-15-9(12)5-6-2-3-8(11(13)14)7(10)4-6/h2-4H,5H2,1H3 |
| InChI Key | RUUXLCCTIXFRER-UHFFFAOYSA-N |
| MDL Number | MFCD16620330 |
| Molecular Formula | C9H8FNO4 |
| Molecular Weight | 213.1625 |
| SMILES | COC(=O)CC1=CC(=C(C=C1)[N+](=O)[O-])F |
| Synonyms | methyl 2-(3-fluoro-4-nitrophenyl)acetate,
169339-41-7,
SCHEMBL4131823,
RUUXLCCTIXFRER-UHFFFAOYSA-N,
methyl 3-fluoro4-nitrophenylacetate,
MFCD16620330,
ZINC38867285,
AS-44850,
(3-Fluoro-4-nitro-phenyl)-acetic acid methyl ester,
CID10443188,
Methyl 2-(3-fluoro-4-nitro-phenyl)acetate,
2-(3-fluoro-4-nitrophenyl)acetic acid methyl 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 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number