AG00EIMV

57940-05-3 | 4,6,7-TRICHLOROQUINAZOLINE

AG00EIMV

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CAS Number	57940-05-3
Catalog Number	AG00EIMV(AGN-PC-09T1HD)
Chemical Name	4,6,7-TRICHLOROQUINAZOLINE
IUPAC Name	4,6,7-trichloroquinazoline
InChI	InChI=1S/C8H3Cl3N2/c9-5-1-4-7(2-6(5)10)12-3-13-8(4)11/h1-3H
InChI Key	JHLMAVSDZYYXFQ-UHFFFAOYSA-N
MDL Number	MFCD11044652
Molecular Formula	C8H3Cl3N2
Molecular Weight	233.4818
SMILES	ClC1=CC2=NC=NC(Cl)=C2C=C1Cl
Synonyms	4,6,7-TRICHLOROQUINAZOLINE, 57940-05-3, SCHEMBL4073470, CTK5A7649, DTXSID70699046, JHLMAVSDZYYXFQ-UHFFFAOYSA-N, MFCD11044652, ZINC95627747, AKOS024262415, FCH1401873, AS-41791, AJ-133032, AX8092709, X-2095,

Complexity	190
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	231.936g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	233.476g/mol
Monoisotopic Mass	231.936g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	25.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number