6-Bromo-2-chloroquinoxaline - CAS 55687-02-0
Catalog: |
BB029131 |
Product Name: |
6-Bromo-2-chloroquinoxaline |
CAS: |
55687-02-0 |
Synonyms: |
6-bromo-2-chloroquinoxaline; 6-bromo-2-chloroquinoxaline |
IUPAC Name: | 6-bromo-2-chloroquinoxaline |
Description: | 6-Bromo-2-chloroquinoxaline (CAS# 55687-02-0) is a useful research chemical. |
Molecular Weight: | 243.49 |
Molecular Formula: | C8H4BrClN2 |
Canonical SMILES: | C1=CC2=NC(=CN=C2C=C1Br)Cl |
InChI: | InChI=1S/C8H4BrClN2/c9-5-1-2-6-7(3-5)11-4-8(10)12-6/h1-4H |
InChI Key: | XDJDRCGDVKTDHY-UHFFFAOYSA-N |
Boiling Point: | 312.5 °C at 760 mmHg |
Density: | 1.762 g/cm3 |
LogP: | 3.04570 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020063854-A1 | Quinoline-based derivatives as vap-1 inhibitors | 20180927 |
AU-2018357878-A1 | Spirocyclic compounds as farnesoid X receptor modulators | 20171101 |
CA-3081424-A1 | Spirocyclic compounds as farnesoid x receptor modulators | 20171101 |
CN-111278821-A | Spiro compounds as farnesoid X receptor modulators | 20171101 |
US-2019127362-A1 | Spirocyclic compounds as farnesoid x receptor modulators | 20171101 |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.92464 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.92464 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 25.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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Related Functional Groups
Quinoxalines
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