AG002K66

209286-73-7 | Isoquinoline, 1-chloro-6-methyl-

AG002K66

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CAS Number	209286-73-7
Catalog Number	AG002K66(AGN-PC-03HU1X)
Chemical Name	Isoquinoline, 1-chloro-6-methyl-
IUPAC Name	1-chloro-6-methylisoquinoline
InChI	InChI=1S/C10H8ClN/c1-7-2-3-9-8(6-7)4-5-12-10(9)11/h2-6H,1H3
InChI Key	VBKBNFQWNBALDD-UHFFFAOYSA-N
MDL Number	MFCD11110400
Molecular Formula	C10H8ClN
Molecular Weight	177.6302
SMILES	CC1=CC2=C(C=C1)C(Cl)=NC=C2
Synonyms	1-Chloro-6-methylisoquinoline, 209286-73-7, 1-Chloro-6-methyl-isoquinoline, Isoquinoline, 1-chloro-6-methyl-, W-206576, MFCD11110400, ACMC-1CLXR, SCHEMBL1536387, CTK4E5484, KS-00000DJE, DTXSID50620237, VBKBNFQWNBALDD-UHFFFAOYSA-N, ANW-24283, CC-972, FCH889032, ZINC32501161, AKOS006307172, AB63566, RP03075, TRA0025437, ACM209286737, AJ-85361, CJ-17959, CS-11051, SC-24798, SY003959, AB0040585, AB1001817, AX8057878, TC-113028, AM20050936, FT-0694337, Y8213, MFCD11110400 (97%), K-6047, I08-0471, null, C10H8ClN, ACN-S004810, 1-chloro-6-methylisoquinoline, 95% - 1G 1g,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	177.035g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	177.631g/mol
Monoisotopic Mass	177.035g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

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