AG007H6X

34846-65-6 | Isoquinoline-4-carbonitrile

AG007H6X

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CAS Number	34846-65-6
Catalog Number	AG007H6X(AGN-PC-0JM1WO)
Chemical Name	Isoquinoline-4-carbonitrile
IUPAC Name	isoquinoline-4-carbonitrile
InChI	InChI=1S/C10H6N2/c11-5-9-7-12-6-8-3-1-2-4-10(8)9/h1-4,6-7H
InChI Key	NPDZTCFGRSYTPF-UHFFFAOYSA-N
MDL Number	MFCD00957039
Molecular Formula	C10H6N2
Molecular Weight	154.1680
NSC Number	74868
SMILES	C1=CC=CC2=C1C(=CN=C2)C#N
Synonyms	4-isoquinolinecarbonitrile, isoquinoline-4-carbonitrile, 34846-65-6, 4-Isoquinolinecarbonitrile, 4-Cyanoisoquinoline, 4-CYANO-ISOQUINILINE, MFCD00957039, NSC 74868, PubChem16890, AC1L3WHH, Isoquinolin-4-carbonitrile, AC1Q4RP1, SCHEMBL1551634, CTK1C4191, NPDZTCFGRSYTPF-UHFFFAOYSA-N, ALBB-023701, NSC74868, AB1208, ANW-50446, CI-436, NSC-74868, SBB071727, ZINC13284453, AKOS005216136, AB07795, AC-7690, AN-8780, FS-2729, MCULE-3362628572, QC-9408, RP01849, WT82233, AJ-63586, AK-24101, BR-24101, CJ-14344, AB0024384, DB-000550, ST2413175, TC-020303, 4CH-012685, FT-0649735, ST45026901, W5648, S-4889, 846I656, J-019782, J-521590, I14-11617, C10H6N2, CID96450, AR-1G3002, C10-H6-N2, isoquinoline-4-carbonitrile, 95% - 1G 1g, 35944-79-7,

Complexity	203
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	154.053g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	154.172g/mol
Monoisotopic Mass	154.053g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	36.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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