AG000R4K

1260759-38-3 | 7-Quinazolinecarbonitrile, 4-chloro-

AG000R4K

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CAS Number	1260759-38-3
Catalog Number	AG000R4K(AGN-PC-0WD3HY)
Chemical Name	7-Quinazolinecarbonitrile, 4-chloro-
IUPAC Name	4-chloroquinazoline-7-carbonitrile
InChI	InChI=1S/C9H4ClN3/c10-9-7-2-1-6(4-11)3-8(7)12-5-13-9/h1-3,5H
InChI Key	HPPKVEMLKHNBPV-UHFFFAOYSA-N
MDL Number	MFCD15527393
Molecular Formula	C9H4ClN3
Molecular Weight	189.6012
SMILES	ClC1=C2C=CC(=CC2=NC=N1)C#N
Synonyms	4-Chloroquinazoline-7-carbonitrile, 1260759-38-3, SCHEMBL17680365, DTXSID70856970, KS-00000E1J, 6149AJ, MFCD15527393, ZINC95830484, 7-Quinazolinecarbonitrile, 4-chloro-, AKOS022174244, FCH1141121, CS-12037, DA-46546, SY036151, AJ-134626, AX8260539, FT-0770374, MFCD15527393 (95%), C9H4ClN3,

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.009g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	189.602g/mol
Monoisotopic Mass	189.009g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	49.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number