1-Bromo-3-iodo-5-nitrobenzene - CAS 861601-15-2
Catalog: |
BB037844 |
Product Name: |
1-Bromo-3-iodo-5-nitrobenzene |
CAS: |
861601-15-2 |
Synonyms: |
1-bromo-3-iodo-5-nitrobenzene; 1-bromo-3-iodo-5-nitrobenzene |
IUPAC Name: | 1-bromo-3-iodo-5-nitrobenzene |
Description: | 1-Bromo-3-iodo-5-nitrobenzene (CAS# 861601-15-2 ) is a useful research chemical. |
Molecular Weight: | 327.90 |
Molecular Formula: | C6H3BrINO2 |
Canonical SMILES: | C1=C(C=C(C=C1Br)I)[N+](=O)[O-] |
InChI: | InChI=1S/C6H3BrINO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H |
InChI Key: | KHHGBDKCMRQYQX-UHFFFAOYSA-N |
LogP: | 3.48510 |
Publication Number | Title | Priority Date |
WO-2021152165-A1 | Macrocyclic rip2-kinase inhibitors | 20200131 |
AU-2007262791-A1 | Antibacterial compositions | 20060622 |
AU-2007262791-B2 | Antibacterial compositions | 20060622 |
AU-2012200669-A1 | Antibacterial compositions | 20060622 |
AU-2012200669-B2 | Antibacterial compositions | 20060622 |
Complexity: | 161 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 326.83919 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 326.83919 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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