| CAS Number | 1824284-36-7 |
| Catalog Number | AG00I1DM(AGN-PC-0WRA7H) |
| Chemical Name | 4-Fluoro-2-methoxy-5-nitrobenzoic acid |
| IUPAC Name | 4-fluoro-2-methoxy-5-nitrobenzoic acid |
| InChI | InChI=1S/C8H6FNO5/c1-15-7-3-5(9)6(10(13)14)2-4(7)8(11)12/h2-3H,1H3,(H,11,12) |
| InChI Key | VWJJZZCFGCQMOA-UHFFFAOYSA-N |
| MDL Number | MFCD19441854 |
| Molecular Formula | C8H6FNO5 |
| Molecular Weight | 215.1353 |
| SMILES | COc1cc(F)c(cc1C(=O)O)[N+](=O)[O-] |
| Synonyms | 4-Fluoro-2-methoxy-5-nitrobenzoic acid,
1824284-36-7,
4-Fluoro-2-methoxy-5-nitro-benzoic acid,
SCHEMBL13577298,
CTK4C7203,
DTXSID70721699,
ZINC71864128,
QC-8641,
AB0097403,
AJ-118879,
AX8259224,
Z-8707,
151793-17-8,
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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 |
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Certificate of Analysis
Lot Number