| CAS Number | 1375068-70-4 |
| Catalog Number | AG009WLJ |
| Chemical Name | 2-Isobutoxy-3-nitrotoluene |
| IUPAC Name | 1-methyl-2-(2-methylpropoxy)-3-nitrobenzene |
| InChI | InChI=1S/C11H15NO3/c1-8(2)7-15-11-9(3)5-4-6-10(11)12(13)14/h4-6,8H,7H2,1-3H3 |
| InChI Key | QBHOKOHUXFZOLU-UHFFFAOYSA-N |
| MDL Number | MFCD22205728 |
| Molecular Formula | C11H15NO3 |
| Molecular Weight | 209.2417 |
| SMILES | CC(COc1c(C)cccc1[N+](=O)[O-])C |
| Synonyms | 2-Isobutoxy-3-nitrotoluene,
1375068-70-4,
ACMC-209ccu,
CTK8B0638,
DTXSID80742971,
ANW-20284,
MFCD22205728,
ZINC85477204,
AKOS025294439,
TC-109029,
V2730,
1-methyl-2-(2-methylpropoxy)-3-nitrobenzene,
B-8972,
C11H15NO3,
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| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.245g/mol |
| Monoisotopic Mass | 209.105g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number