2,4,7-Trichloroquinazoline - CAS 6625-94-1

Catalog:	BB032950
Product Name:	2,4,7-Trichloroquinazoline
CAS:	6625-94-1
Synonyms:	2,4,7-trichloroquinazoline; 2,4,7-trichloroquinazoline

Technical Data

Patents

Computed Properties

IUPAC Name:	2,4,7-trichloroquinazoline
Description:	2,4,7-Trichloroquinazoline (CAS# 6625-94-1) is a useful research chemical.
Molecular Weight:	233.48
Molecular Formula:	C8H3Cl3N2
Canonical SMILES:	C1=CC2=C(C=C1Cl)N=C(N=C2Cl)Cl
InChI:	InChI=1S/C8H3Cl3N2/c9-4-1-2-5-6(3-4)12-8(11)13-7(5)10/h1-3H
InChI Key:	MFVNIGBXSLGABC-UHFFFAOYSA-N
Boiling Point:	309.1 °C at 760 mmHg
Density:	1.6 g/cm³
LogP:	3.59000

Publication Number	Title	Priority Date
WO-2021130638-A1	Diacylglycerol kinase modulating compounds	20191224
WO-2020108613-A1	Heteroaromatic derivatives for use as regulator, preparation method therefor and use thereof	20181130
CN-111511738-A	Heteroaromatic derivative regulator, preparation method and application thereof	20181130
TW-202033519-A	Heteroaromatic derivative regulator, its preparation method and application	20181130
KR-20210099611-A	Heteroaromatic derivative control agent, preparation method and use thereof	20181130

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Complexity:	190
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	231.936181
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	231.936181
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.1