| CAS Number | 63762-81-2 |
| Catalog Number | AG00IB9S(AGN-PC-02S1FK) |
| Chemical Name | 1-Fluoro-2-methoxy-4-methyl-5-nitrobenzene |
| IUPAC Name | 1-fluoro-2-methoxy-4-methyl-5-nitrobenzene |
| InChI | InChI=1S/C8H8FNO3/c1-5-3-8(13-2)6(9)4-7(5)10(11)12/h3-4H,1-2H3 |
| InChI Key | GCKWCMGHWIOMRU-UHFFFAOYSA-N |
| MDL Number | MFCD18432288 |
| Molecular Formula | C8H8FNO3 |
| Molecular Weight | 185.1524 |
| SMILES | COC1=C(F)C=C([N+]([O-])=O)C(C)=C1 |
| Synonyms | 1-Fluoro-2-methoxy-4-methyl-5-nitrobenzene,
63762-81-2,
2-fluoro-5-methyl-4-nitroanisole,
2-nitro-4-fluoro-5-methoxytoluene,
SCHEMBL6117320,
GCKWCMGHWIOMRU-UHFFFAOYSA-N,
ZINC60107524,
NE53189,
AJ-113852,
Benzene, 1-fluoro-2-methoxy-4-methyl-5-nitro-,
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| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.154g/mol |
| Monoisotopic Mass | 185.049g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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