2-Quinoxaloyl chloride - CAS 54745-92-5
Catalog: |
BB028810 |
Product Name: |
2-Quinoxaloyl chloride |
CAS: |
54745-92-5 |
Synonyms: |
quinoxaline-2-carbonyl chloride |
IUPAC Name: | quinoxaline-2-carbonyl chloride |
Description: | 2-Quinoxaloyl chloride (CAS# 54745-92-5) is a useful research chemical. |
Molecular Weight: | 192.60 |
Molecular Formula: | C9H5ClN2O |
Canonical SMILES: | C1=CC=C2C(=C1)N=CC(=N2)C(=O)Cl |
InChI: | InChI=1S/C9H5ClN2O/c10-9(13)8-5-11-6-3-1-2-4-7(6)12-8/h1-5H |
InChI Key: | SOPDQKNXOCUBSR-UHFFFAOYSA-N |
Boiling Point: | 324.4 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.411 g/cm3 |
MDL: | MFCD00006725 |
LogP: | 2.00880 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
AU-2018360857-A1 | Modulators of the integrated stress pathway | 20171102 |
TW-201927756-A | Integrating stress pathway regulator | 20171102 |
WO-2019090076-A1 | Modulators of the integrated stress pathway | 20171102 |
EP-3710428-A1 | Modulators of the integrated stress pathway | 20171102 |
KR-20200096522-A | Modulators of the integrated stress pathway | 20171102 |
Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.0090405 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.0090405 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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