| CAS Number | 102878-76-2 |
| Catalog Number | AG01DTMN |
| Chemical Name | 4-Ethyl-2-methyl-1-nitrobenzene |
| IUPAC Name | 4-ethyl-2-methyl-1-nitrobenzene |
| InChI | InChI=1S/C9H11NO2/c1-3-8-4-5-9(10(11)12)7(2)6-8/h4-6H,3H2,1-2H3 |
| InChI Key | JRFWREBLPZKNNR-UHFFFAOYSA-N |
| MDL Number | MFCD22490542 |
| Molecular Formula | C9H11NO2 |
| Molecular Weight | 165.1891 |
| SMILES | CCc1ccc(c(C)c1)[N+]([O-])=O |
| Synonyms | 4-ethyl-2-methyl-1-nitrobenzene,
102878-76-2,
SCHEMBL13344094,
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| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.192g/mol |
| Monoisotopic Mass | 165.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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