| CAS Number | 91319-50-5 |
| Catalog Number | AG00IGL7(AGN-PC-0OMMEK) |
| Chemical Name | Ethyl (E)-3-(2-fluoro-5-nitrophenyl)acrylate |
| IUPAC Name | ethyl (E)-3-(2-fluoro-5-nitrophenyl)prop-2-enoate |
| InChI | InChI=1S/C11H10FNO4/c1-2-17-11(14)6-3-8-7-9(13(15)16)4-5-10(8)12/h3-7H,2H2,1H3/b6-3+ |
| InChI Key | MIOPWTLOGXFJHE-ZZXKWVIFSA-N |
| MDL Number | MFCD22124782 |
| Molecular Formula | C11H10FNO4 |
| Molecular Weight | 239.1998 |
| SMILES | [O-][N+](=O)c1cc(/C=C/C(=O)OCC)c(cc1)F |
| Synonyms | 91319-50-5,
ethyl (2E)-3-(2-fluoro-5-nitrophenyl)prop-2-enoate,
(E)-Ethyl 3-(2-fluoro-5-nitrophenyl)acrylate,
Ethyl (E)-3-(2-Fluoro-5-nitrophenyl)acrylate,
2-Propenoic acid, 3-(2-fluoro-5-nitrophenyl)-, ethyl ester, (E)-,
C11H10FNO4,
SCHEMBL17980391,
DTXSID50735173,
ZX-AP009606,
2960AF,
MFCD22124782,
ZINC72190694,
AKOS015991606,
PC49234,
SS-4375,
CS-0037824,
ethyl 3-(2-fluoro-5-nitrophenyl)prop-2-enoate,
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| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 239.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.202g/mol |
| Monoisotopic Mass | 239.059g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number