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6-Bromo-2-chloroquinazoline

6-Bromo-2-chloroquinazoline - CAS 882672-05-1

Catalog:	BB038806
Product Name:	6-Bromo-2-chloroquinazoline
CAS:	882672-05-1
Synonyms:	6-bromo-2-chloroquinazoline; 6-bromo-2-chloroquinazoline

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	6-bromo-2-chloroquinazoline
Description:	6-Bromo-2-chloroquinazoline (CAS# 882672-05-1) is a useful research chemical.
Molecular Weight:	243.49
Molecular Formula:	C8H4BrClN2
Canonical SMILES:	C1=CC2=NC(=NC=C2C=C1Br)Cl
InChI:	InChI=1S/C8H4BrClN2/c9-6-1-2-7-5(3-6)4-11-8(10)12-7/h1-4H
InChI Key:	NYQBZJFZEZEXFP-UHFFFAOYSA-N
Boiling Point:	240.2 °C at 760 mmHg
Density:	1.762 g/cm³
Appearance:	Solid
MDL:	MFCD09261000
LogP:	3.04570

Publication Number	Title	Priority Date
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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