| CAS Number | 1426958-40-8 |
| Catalog Number | AG009W7U(AGN-PC-0WP1R7) |
| Chemical Name | METHYL 4-FLUORO-5-HYDROXY-2-NITROBENZOATE |
| IUPAC Name | methyl 4-fluoro-5-hydroxy-2-nitrobenzoate |
| InChI | InChI=1S/C8H6FNO5/c1-15-8(12)4-2-7(11)5(9)3-6(4)10(13)14/h2-3,11H,1H3 |
| InChI Key | IWYPVZJXNKHKRF-UHFFFAOYSA-N |
| MDL Number | MFCD23699495 |
| Molecular Formula | C8H6FNO5 |
| Molecular Weight | 215.1353 |
| SMILES | O=C(OC)C1=CC(O)=C(F)C=C1[N+]([O-])=O |
| Synonyms | METHYL 4-FLUORO-5-HYDROXY-2-NITROBENZOATE,
1426958-40-8,
SCHEMBL11922558,
DTXSID70731935,
IWYPVZJXNKHKRF-UHFFFAOYSA-N,
MFCD23699495,
ZINC95217938,
AKOS027251989,
AS-42414,
FT-0755674,
4-Fluoro-5-hydroxy-2-nitro-benzoic acid methyl ester,
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| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.136g/mol |
| Monoisotopic Mass | 215.023g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 92.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number