2-Bromo-1-isobutoxy-4-nitrobenzene - CAS 288251-95-6
Catalog: |
BB071424 |
Product Name: |
2-Bromo-1-isobutoxy-4-nitrobenzene |
CAS: |
288251-95-6 |
Synonyms: |
2-Bromo-1-isobutoxy-4-nitrobenzene; 2-bromo-1-(2-methylpropoxy)-4-nitrobenzene; 2-isobutoxy-5-nitrobromobenzene |
IUPAC Name: | 2-bromo-1-(2-methylpropoxy)-4-nitrobenzene |
Description: | 2-Bromo-1-isobutoxy-4-nitrobenzene |
Molecular Weight: | 274.11 |
Molecular Formula: | C10H12BrNO3 |
Canonical SMILES: | CC(C)COC1=C(C=C(C=C1)[N+](=O)[O-])Br |
InChI: | InChI=1S/C10H12BrNO3/c1-7(2)6-15-10-4-3-8(12(13)14)5-9(10)11/h3-5,7H,6H2,1-2H3 |
InChI Key: | JMHCNCPLRUGADS-UHFFFAOYSA-N |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 273.00006 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 273.00006 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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