5-Bromo-2-isobutoxy-3-nitrotoluene - CAS 1381944-70-2
Catalog: |
BB071423 |
Product Name: |
5-Bromo-2-isobutoxy-3-nitrotoluene |
CAS: |
1381944-70-2 |
Synonyms: |
5-Bromo-2-isobutoxy-3-nitrotoluene; 5-bromo-1-methyl-2-(2-methylpropoxy)-3-nitrobenzene |
IUPAC Name: | 5-bromo-1-methyl-2-(2-methylpropoxy)-3-nitrobenzene |
Description: | 5-Bromo-2-isobutoxy-3-nitrotoluene |
Molecular Weight: | 288.14 |
Molecular Formula: | C11H14BrNO3 |
Canonical SMILES: | CC1=CC(=CC(=C1OCC(C)C)[N+](=O)[O-])Br |
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 |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 287.01571 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 287.01571 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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