| CAS Number | 1241920-02-4 |
| Catalog Number | AG00HHK9(AGN-PC-0WR9Z1) |
| Chemical Name | Methyl 2-(2-fluoro-5-nitrophenyl)acetate |
| IUPAC Name | methyl 2-(2-fluoro-5-nitrophenyl)acetate |
| InChI | InChI=1S/C9H8FNO4/c1-15-9(12)5-6-4-7(11(13)14)2-3-8(6)10/h2-4H,5H2,1H3 |
| InChI Key | CAWULVIFHWERCD-UHFFFAOYSA-N |
| MDL Number | MFCD27578328 |
| Molecular Formula | C9H8FNO4 |
| Molecular Weight | 213.1625 |
| SMILES | O=C(OC)CC1=CC([N+]([O-])=O)=CC=C1F |
| Synonyms | methyl 2-(2-fluoro-5-nitrophenyl)acetate,
1241920-02-4,
SCHEMBL2556486,
CAWULVIFHWERCD-UHFFFAOYSA-N,
MFCD27578328,
ZINC97756795,
methyl (2-fluoro-5-nitrophenyl)acetate,
FT-0766884,
|
| 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 |
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Certificate of Analysis
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