| CAS Number | 911804-98-3 |
| Catalog Number | AG006Q7A(AGN-PC-0J0XOA) |
| Chemical Name | 2-Butoxy-3-nitrotoluene |
| IUPAC Name | 2-butoxy-1-methyl-3-nitrobenzene |
| InChI | InChI=1S/C11H15NO3/c1-3-4-8-15-11-9(2)6-5-7-10(11)12(13)14/h5-7H,3-4,8H2,1-2H3 |
| InChI Key | ZLHFRHIXCITJOW-UHFFFAOYSA-N |
| MDL Number | MFCD22205729 |
| Molecular Formula | C11H15NO3 |
| Molecular Weight | 209.2417 |
| SMILES | CCCCOc1c(C)cccc1[N+](=O)[O-] |
| Synonyms | 2-Butoxy-3-nitrotoluene,
911804-98-3,
2-butoxy-1-methyl-3-nitrobenzene,
ACMC-209r8f,
CTK8B2671,
DTXSID00743107,
ANW-39565,
MFCD22205729,
ZINC85483693,
AKOS027253167,
TC-128310,
V8971,
B-8962,
C11H15NO3,
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| Complexity | 203 |
| 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 | 4 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number