2,6-Dinitrobenzonitrile - CAS 35213-00-4
Catalog: |
BB022529 |
Product Name: |
2,6-Dinitrobenzonitrile |
CAS: |
35213-00-4 |
Synonyms: |
2,6-dinitrobenzonitrile; 2,6-dinitrobenzonitrile |
IUPAC Name: | 2,6-dinitrobenzonitrile |
Description: | 2,6-Dinitrobenzonitrile (CAS# 35213-00-4) is a useful research chemical. |
Molecular Weight: | 193.12 |
Molecular Formula: | C7H3N3O4 |
Canonical SMILES: | C1=CC(=C(C(=C1)[N+](=O)[O-])C#N)[N+](=O)[O-] |
InChI: | InChI=1S/C7H3N3O4/c8-4-5-6(9(11)12)2-1-3-7(5)10(13)14/h1-3H |
InChI Key: | ZYDGHQSJZAFMLU-UHFFFAOYSA-N |
Boiling Point: | 391.4 °C at 760 mmHg |
Density: | 1.55 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00041246 |
LogP: | 2.42108 |
Publication Number | Title | Priority Date |
WO-2021116050-A1 | New braf inhibitors as paradox breakers | 20191210 |
CZ-2019219-A3 | Process for the preparation of 6-amino-2,3-difluorobenzonitrile | 20190408 |
WO-2020033420-A1 | 5-substituted 4-amino-1h-benzo[c][1,2,6]thiadiazine 2,2-dioxides and formulations and uses thereof | 20180807 |
CN-112703193-A | 5-substituted 4-amino-1H-benzo [ c ] [1,2,6] thiadiazine 2, 2-dioxides and formulations and uses thereof | 20180807 |
EP-3814344-A1 | 5-substituted 4-amino-1h-benzo[c][1,2,6]thiadiazine 2,2-dioxides and formulations and uses thereof | 20180807 |
Complexity: | 274 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.01235559 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.01235559 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 115 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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