AG00IENS

875249-27-7 | 3-Chloro-5,6,7,8-tetrahydroisoquinoline

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CAS Number	875249-27-7
Catalog Number	AG00IENS(AGN-PC-0WB61C)
Chemical Name	3-Chloro-5,6,7,8-tetrahydroisoquinoline
IUPAC Name	3-chloro-5,6,7,8-tetrahydroisoquinoline
InChI	InChI=1S/C9H10ClN/c10-9-5-7-3-1-2-4-8(7)6-11-9/h5-6H,1-4H2
InChI Key	ANGNQXZJVZVJMX-UHFFFAOYSA-N
MDL Number	MFCD11870038
Molecular Formula	C9H10ClN
Molecular Weight	167.6354
SMILES	ClC2=CC1=C(C=N2)CCCC1
Synonyms	3-chloro-5,6,7,8-tetrahydroisoquinoline, 875249-27-7, 3-Chloro-5,6,7,8-tetrahydro-isoquinoline, SCHEMBL425866, ANGNQXZJVZVJMX-UHFFFAOYSA-N, ZX-CM010012, MFCD11870038, ZINC67425299, AKOS023412527, FCH1175470, AS-40679, 3-chloro-5,6,7,8-tetrahydro isoquinoline, Y-6908,

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.05g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	167.636g/mol
Monoisotopic Mass	167.05g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number