AG007A8A

362606-11-9 | Isoquinoline-8-carbonitrile

AG007A8A

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CAS Number	362606-11-9
Catalog Number	AG007A8A(AGN-PC-00JQO2)
Chemical Name	Isoquinoline-8-carbonitrile
IUPAC Name	isoquinoline-8-carbonitrile
InChI	InChI=1S/C10H6N2/c11-6-9-3-1-2-8-4-5-12-7-10(8)9/h1-5,7H
InChI Key	PZNNHPZBZRHNDO-UHFFFAOYSA-N
MDL Number	MFCD10699232
Molecular Formula	C10H6N2
Molecular Weight	154.1680
SMILES	C(#N)c1c2c(ccc1)ccnc2
Synonyms	Isoquinoline-8-carbonitrile, 362606-11-9, 8-Isoquinolinecarbonitrile, 8-Cyanoisoquinoline, 8-Isoquinolinecarbonitrile(9CI), SCHEMBL7015267, CTK1C1257, KS-00002ADY, DTXSID60475912, PZNNHPZBZRHNDO-UHFFFAOYSA-N, ANW-57294, MFCD10699232, ZINC35269664, AKOS006283022, PS-5255, QC-9412, RP01851, AJ-90854, AB0038055, DB-069345, TR-039363, FT-0769036, ST24030813, Y5402, Q-9055, J-521599, C10H6N2, 8-Isoquinolinecarbonitrile (9CI),

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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number