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

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Computed Properties

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

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

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Related Functional Groups

Quinoxalines

[7065-23-8]
Ethyl 2-quinoxalinecarboxylate
[36856-91-4]
2-Bromoquinoxaline
[1628908-19-9]
5-Bromo-7-fluoroquinoxaline
[2227206-68-8]
5-Bromo-8-chloroquinoxaline
[1215205-43-8]
6-(Trifluoromethoxy)quinoxaline
[55687-02-0]
6-Bromo-2-chloroquinoxaline

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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

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