| CAS Number | 907602-44-2 |
| Catalog Number | AG00IVX8(AGN-PC-0WB2ST) |
| Chemical Name | Methyl 3-(4-fluoro-3-nitrophenyl)propanoate |
| IUPAC Name | methyl 3-(4-fluoro-3-nitrophenyl)propanoate |
| InChI | InChI=1S/C10H10FNO4/c1-16-10(13)5-3-7-2-4-8(11)9(6-7)12(14)15/h2,4,6H,3,5H2,1H3 |
| InChI Key | BBYSSQZSIUKMFI-UHFFFAOYSA-N |
| MDL Number | MFCD09035873 |
| Molecular Formula | C10H10FNO4 |
| Molecular Weight | 227.1891 |
| SMILES | FC1(=C([N+](=O)[O-])C=C(CCC(=O)OC)C=C1) |
| Synonyms | 907602-44-2,
methyl 3-(4-fluoro-3-nitrophenyl)propanoate,
3-(4-Fluoro-3-nitro-phenyl)-propionic acid methyl ester,
SCHEMBL14565801,
KS-00002BGL,
1991AJ,
AKOS030253672,
ZINC149850100,
SS-4969,
Benzenepropanoic acid, 4-fluoro-3-nitro-, methyl ester,
C10H10FNO4,
|
| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.191g/mol |
| Monoisotopic Mass | 227.059g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number