8-Bromo-4-chloroquinazoline - CAS 125096-72-2

Catalog:	BB006061
Product Name:	8-Bromo-4-chloroquinazoline
CAS:	125096-72-2
Synonyms:	8-bromo-4-chloroquinazoline; 8-bromo-4-chloroquinazoline

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Computed Properties

IUPAC Name:	8-bromo-4-chloroquinazoline
Description:	8-Bromo-4-chloroquinazoline (CAS# 125096-72-2) is a useful research chemical compound.
Molecular Weight:	243.49
Molecular Formula:	C8H4BrClN2
Canonical SMILES:	C1=CC2=C(C(=C1)Br)N=CN=C2Cl
InChI:	InChI=1S/C8H4BrClN2/c9-6-3-1-2-5-7(6)11-4-12-8(5)10/h1-4H
InChI Key:	NVMDCMMESVPNHN-UHFFFAOYSA-N
Boiling Point:	339.7 °C at 760 mmHg
Density:	1.762 g/cm³
MDL:	MFCD09738589
LogP:	3.04570

Publication Number	Title	Priority Date
TW-202010492-A	Amino acid compounds with unbranched linkers and methods of use	20180627
US-2020123151-A1	Amino acid compounds with unbranched linkers and methods of use	20180627
CA-3104682-A1	Amino acid compounds with unbranched linkers and methods of use	20180627
CN-112689507-A	Amino acid compounds having unbranched linkers and methods of use thereof	20180627
BR-112020026278-A2	AMINO ACIDS COMPOUNDS WITH NON-BRANCHED BINDERS AND METHODS OF USE	20180627

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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:	3.2