| CAS Number | 1079992-97-4 |
| Catalog Number | AG00HB26(AGN-PC-0WQVND) |
| Chemical Name | Methyl 6-fluoro-2-methyl-3-nitrobenzoate |
| IUPAC Name | methyl 6-fluoro-2-methyl-3-nitrobenzoate |
| InChI | InChI=1S/C9H8FNO4/c1-5-7(11(13)14)4-3-6(10)8(5)9(12)15-2/h3-4H,1-2H3 |
| InChI Key | VSAHHNFBEGJLEX-UHFFFAOYSA-N |
| MDL Number | MFCD28347723 |
| Molecular Formula | C9H8FNO4 |
| Molecular Weight | 213.1625 |
| SMILES | FC1=CC=C(C(=C1C(=O)OC)C)[N+](=O)[O-] |
| Synonyms | methyl 6-fluoro-2-methyl-3-nitrobenzoate,
1079992-97-4,
SCHEMBL543121,
VSAHHNFBEGJLEX-UHFFFAOYSA-N,
MFCD28347723,
ZINC114059787,
CS-0038503,
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| Complexity | 265 |
| 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 | 2 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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