1-Bromo-2-chloro-5-ethoxy-4-nitrobenzene - CAS 1393442-06-2
Catalog: |
BB072264 |
Product Name: |
1-Bromo-2-chloro-5-ethoxy-4-nitrobenzene |
CAS: |
1393442-06-2 |
Synonyms: |
1-BROMO-2-CHLORO-5-ETHOXY-4-NITROBENZENE; Benzene, 1-bromo-2-chloro-5-ethoxy-4-nitro- |
IUPAC Name: | 1-bromo-2-chloro-5-ethoxy-4-nitrobenzene |
Molecular Weight: | 280.5 |
Molecular Formula: | C8H7BrClNO3 |
Canonical SMILES: | CCOC1=CC(=C(C=C1[N+](=O)[O-])Cl)Br |
InChI: | InChI=1S/C8H7BrClNO3/c1-2-14-8-3-5(9)6(10)4-7(8)11(12)13/h3-4H,2H2,1H3 |
InChI Key: | DQUYNYJGMFTJFF-UHFFFAOYSA-N |
Complexity: | 211 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 278.92978 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 278.92978 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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