2-Bromo-6-nitro-4-(trifluoromethoxy)aniline - CAS 886499-21-4
Catalog: |
BB039107 |
Product Name: |
2-Bromo-6-nitro-4-(trifluoromethoxy)aniline |
CAS: |
886499-21-4 |
Synonyms: |
2-bromo-6-nitro-4-(trifluoromethoxy)aniline; 2-bromo-6-nitro-4-(trifluoromethoxy)aniline |
IUPAC Name: | 2-bromo-6-nitro-4-(trifluoromethoxy)aniline |
Description: | 2-Bromo-6-nitro-4-(trifluoromethoxy)aniline (CAS# 886499-21-4) is a useful research chemical. |
Molecular Weight: | 301.02 |
Molecular Formula: | C7H4BrF3N2O3 |
Canonical SMILES: | C1=C(C=C(C(=C1Br)N)[N+](=O)[O-])OC(F)(F)F |
InChI: | InChI=1S/C7H4BrF3N2O3/c8-4-1-3(16-7(9,10)11)2-5(6(4)12)13(14)15/h1-2H,12H2 |
InChI Key: | YIPBAKXAGVSSDF-UHFFFAOYSA-N |
Boiling Point: | 304.8 °C at 760 mmHg |
Density: | 1.879 g/cm3 |
Appearance: | Solid |
MDL: | MFCD04039212 |
LogP: | 3.94250 |
Publication Number | Title | Priority Date |
WO-2011097491-A1 | Benzimidazole antiviral agents | 20100204 |
CA-2722772-A1 | Benzoimidazoles as prolyl hydroxylase inhibitors | 20080428 |
CN-102076680-B | As the benzoglyoxaline of prolyl hydroxylase inhibitors | 20080428 |
CN-105622580-A | Benzoimidazoles as prolyl hydroxylase inhibitors | 20080428 |
EP-2294066-B1 | Benzoimidazoles as prolyl hydroxylase inhibitors | 20080428 |
Complexity: | 271 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 299.93574 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 299.93574 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 81.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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