2,4,6-Trichloroquinazoline - CAS 20028-68-6
Catalog: |
BB015461 |
Product Name: |
2,4,6-Trichloroquinazoline |
CAS: |
20028-68-6 |
Synonyms: |
2,4,6-trichloroquinazoline; 2,4,6-trichloroquinazoline |
IUPAC Name: | 2,4,6-trichloroquinazoline |
Description: | 2,4,6-Trichloroquinazoline (CAS# 20028-68-6) is a useful research chemical. |
Molecular Weight: | 233.48 |
Molecular Formula: | C8H3Cl3N2 |
Canonical SMILES: | C1=CC2=C(C=C1Cl)C(=NC(=N2)Cl)Cl |
InChI: | InChI=1S/C8H3Cl3N2/c9-4-1-2-6-5(3-4)7(10)13-8(11)12-6/h1-3H |
InChI Key: | VUPOGEZMJNDSHI-UHFFFAOYSA-N |
Boiling Point: | 298.5 °C at 760 mmHg |
Density: | 1.6 g/cm3 |
MDL: | MFCD08445622 |
LogP: | 3.59000 |
GHS Hazard Statement: | H301 (90.48%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021130638-A1 | Diacylglycerol kinase modulating compounds | 20191224 |
CN-111247129-A | Piperazine derivatives as MAGL inhibitors | 20171010 |
TW-201922728-A | Novel heterocyclic compounds | 20171010 |
WO-2019072785-A1 | PIPERAZINE DERIVATIVES AS MAGL INHIBITORS | 20171010 |
EP-3694840-A1 | Piperazine derivatives as magl inhibitors | 20171010 |
Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.936181 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.936181 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 25.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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