1-Bromo-3-ethoxy-2-nitrobenzene - CAS 1807041-59-3
Catalog: |
BB062101 |
Product Name: |
1-Bromo-3-ethoxy-2-nitrobenzene |
CAS: |
1807041-59-3 |
Synonyms: |
1-Bromo-3-ethoxy-2-nitrobenzene |
IUPAC Name: | 1-bromo-3-ethoxy-2-nitrobenzene |
Description: | 1-Bromo-3-ethoxy-2-nitrobenzene |
Molecular Weight: | 246.05 |
Molecular Formula: | C8H8BrNO3 |
Canonical SMILES: | CCOC1=C(C(=CC=C1)Br)[N+](=O)[O-] |
InChI: | InChI=1S/C8H8BrNO3/c1-2-13-7-5-3-4-6(9)8(7)10(11)12/h3-5H,2H2,1H3 |
InChI Key: | IJWUNCHTEAEIGD-UHFFFAOYSA-N |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.96876 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.96876 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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