| CAS Number | 1394957-34-6 |
| Catalog Number | AG00HVMB(AGN-PC-0WR7P9) |
| Chemical Name | 1-Fluoro-2-methyl-4-nitro-5-(propan-2-yloxy)benzene |
| IUPAC Name | 1-fluoro-2-methyl-4-nitro-5-propan-2-yloxybenzene |
| InChI | InChI=1S/C10H12FNO3/c1-6(2)15-10-5-8(11)7(3)4-9(10)12(13)14/h4-6H,1-3H3 |
| InChI Key | NSSOSOVHSHJTGE-UHFFFAOYSA-N |
| MDL Number | MFCD23113583 |
| Molecular Formula | C10H12FNO3 |
| Molecular Weight | 213.2056 |
| SMILES | CC(Oc1cc(F)c(cc1[N+](=O)[O-])C)C |
| Synonyms | 1-Fluoro-2-methyl-4-nitro-5-(propan-2-yloxy)benzene,
1394957-34-6,
ZINC238150387,
CS-0091979,
1-FLUORO-5-ISOPROPOXY-2-METHYL-4-NITROBENZENE,
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| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.208g/mol |
| Monoisotopic Mass | 213.08g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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