| CAS Number | 1381944-70-2 |
| Catalog Number | AG00187Q(AGN-PC-0J2CCP) |
| Chemical Name | 5-Bromo-2-isobutoxy-3-nitrotoluene |
| IUPAC Name | 5-bromo-1-methyl-2-(2-methylpropoxy)-3-nitrobenzene |
| InChI | InChI=1S/C11H14BrNO3/c1-7(2)6-16-11-8(3)4-9(12)5-10(11)13(14)15/h4-5,7H,6H2,1-3H3 |
| InChI Key | HPYQEDDPXXYXII-UHFFFAOYSA-N |
| MDL Number | MFCD22375008 |
| Molecular Formula | C11H14BrNO3 |
| Molecular Weight | 288.1378 |
| SMILES | CC(COc1c(C)cc(cc1[N+](=O)[O-])Br)C |
| Synonyms | 5-Bromo-2-isobutoxy-3-nitrotoluene,
1381944-70-2,
ACMC-209cgn,
CTK8B0737,
DTXSID30743059,
ANW-20421,
MFCD22375008,
ZINC85477320,
AKOS025294458,
TC-109166,
V2842,
B-9053,
5-bromo-1-methyl-2-(2-methylpropoxy)-3-nitrobenzene,
Benzene, 5-bromo-1-methyl-2-(2-methylpropoxy)-3-nitro-,
C11H14BrNO3,
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| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.141g/mol |
| Monoisotopic Mass | 287.016g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number