6-Bromo-3-fluoro-2-nitroaniline - CAS 1804841-33-5
Catalog: |
BB013704 |
Product Name: |
6-Bromo-3-fluoro-2-nitroaniline |
CAS: |
1804841-33-5 |
Synonyms: |
6-bromo-3-fluoro-2-nitroaniline; 6-bromo-3-fluoro-2-nitroaniline |
IUPAC Name: | 6-bromo-3-fluoro-2-nitroaniline |
Description: | 6-Bromo-3-fluoro-2-nitroaniline (CAS# 1804841-33-5) is a useful research reagent for organic synthesis and other chemical processes. |
Molecular Weight: | 235.01 |
Molecular Formula: | C6H4BrFN2O2 |
Canonical SMILES: | C1=CC(=C(C(=C1F)[N+](=O)[O-])N)Br |
InChI: | InChI=1S/C6H4BrFN2O2/c7-3-1-2-4(8)6(5(3)9)10(11)12/h1-2H,9H2 |
InChI Key: | BMCZVATWQFWJOA-UHFFFAOYSA-N |
LogP: | 2.72890 |
Publication Number | Title | Priority Date |
AU-2017311047-A1 | TLR7/8 antagonists and uses thereof | 20160808 |
CA-3033240-A1 | Tlr7/8 antagonists and uses thereof | 20160808 |
EP-3497094-A1 | Tlr7/8 antagonists and uses thereof | 20160808 |
JP-2019527718-A | TLR7 / 8 antagonists and their use | 20160808 |
US-2018037570-A1 | Tlr7/8 antagonists and uses thereof | 20160808 |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.94402 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.94402 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 71.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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