AG0037GL

26947-41-1 | 3-ISOQUINOLINECARBONITRILE

AG0037GL

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CAS Number	26947-41-1
Catalog Number	AG0037GL(AGN-PC-0LM84X)
Chemical Name	3-ISOQUINOLINECARBONITRILE
IUPAC Name	isoquinoline-3-carbonitrile
InChI	InChI=1S/C10H6N2/c11-6-10-5-8-3-1-2-4-9(8)7-12-10/h1-5,7H
InChI Key	GXXBVBVNGMCFIU-UHFFFAOYSA-N
MDL Number	MFCD00075136
Molecular Formula	C10H6N2
Molecular Weight	154.1680
SMILES	N#Cc1ncc2c(c1)cccc2
Synonyms	3-Isoquinolinecarbonitrile, 26947-41-1, isoquinoline-3-carbonitrile, 3-Cyanoisoquinoline, 3-Isoquinolinecarbonitrile, 99%, GXXBVBVNGMCFIU-UHFFFAOYSA-N, MFCD00075136, AK-34461, 3-cyano-isoquinoline, AC1NNTAJ, PubChem16887, ACMC-1CIT2, SCHEMBL507331, CTK1A1766, DTXSID10408098, ZINC389601, ANW-48723, CI-114, SBB056019, AKOS005206756, AC-7699, AN-8707, FCH1116883, MCULE-4182327703, QC-9407, 2,4,6-cycloheptartriene-1-carbonitrile, KS-00000J82, AJ-20862, BC225245, BR-34461, CC-15406, SC-28241, TS-02060, ZB011783, AB0000186, AX8019858, DB-000549, TC-020336, 4CH-009814, AM20051013, C3070, FT-0627509, ST24028561, ST50824474, W5009, S-4413, 947I411, C-03337, I08-0080, J-016629, C10H6N2, ZINC00389601, CID5076808, 3-Isoquinolinecarbonitrile, 98% - 1G 1g, 13612-59-4,

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	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number