2,4-Difluoro-3-nitroaniline - CAS 1803729-90-9
Catalog: |
BB013692 |
Product Name: |
2,4-Difluoro-3-nitroaniline |
CAS: |
1803729-90-9 |
Synonyms: |
2,4-difluoro-3-nitroaniline; 2,4-difluoro-3-nitroaniline |
IUPAC Name: | 2,4-difluoro-3-nitroaniline |
Description: | 2,4-Difluoro-3-nitroaniline (CAS# 1803729-90-9 ) is a useful research chemical. |
Molecular Weight: | 174.10 |
Molecular Formula: | C6H4F2N2O2 |
Canonical SMILES: | C1=CC(=C(C(=C1N)F)[N+](=O)[O-])F |
InChI: | InChI=1S/C6H4F2N2O2/c7-3-1-2-4(9)5(8)6(3)10(11)12/h1-2H,9H2 |
InChI Key: | RZRSNIUMZHFTDJ-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
WO-2019205687-A1 | Phenyl triazole mll1-wdr5 protein-protein interaction inhibitor | 20180423 |
AU-2018420231-A1 | Phenyl triazole MLL1-WDR5 protein-protein interaction inhibitor | 20180423 |
CN-112368268-A | Phenyl-bis-triazole MLL1-WDR5 protein-protein interaction inhibitor | 20180423 |
EP-3786157-A1 | Phenyl triazole mll1-wdr5 protein-protein interaction inhibitor | 20180423 |
KR-20210019414-A | Phenyl triazole MLL1-WDR5 protein-protein interaction inhibitor | 20180423 |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.0240837 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.0240837 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 71.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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