1-Methoxy-3,4-dimethyl-2-nitrobenzene - CAS 142596-53-0
Catalog: |
BB076348 |
Product Name: |
1-Methoxy-3,4-dimethyl-2-nitrobenzene |
CAS: |
142596-53-0 |
Synonyms: |
3,4-Dimethyl-2-nitroanisole; 1-Methoxy-2-nitro-3,4-dimethylbenzene |
IUPAC Name: | 1-methoxy-3,4-dimethyl-2-nitrobenzene |
Description: | 1-Methoxy-3,4-dimethyl-2-nitrobenzene is an intermediate for the synthesis of 3,4-Dimethyl-N-(1-methylpropyl)-2,6-dinitrobenzenamine (D457625), which is a herbicide. |
Molecular Weight: | 181.19 |
Molecular Formula: | C9H11NO3 |
Canonical SMILES: | CC1=C(C(=C(C=C1)OC)[N+](=O)[O-])C |
InChI: | InChI=1S/C9H11NO3/c1-6-4-5-8(13-3)9(7(6)2)10(11)12/h4-5H,1-3H3 |
InChI Key: | CICOQOUQNXICFK-UHFFFAOYSA-N |
References: | Victoria F. R., et al. Planta Daninha, 4, 11 (1981); Stoller, E. W., et al. J. Environ. Qual., 6, 124 (1977); Van Yahres, R. D., et al. Proceedings of the Annual Meeting of the Northeastern Weed Science Society, 36, 292 (1982). |
Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.07389321 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.07389321 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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