AG003E8N

3336-43-4 | 1-Chloroisoquinolin-4-ol

AG003E8N

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CAS Number	3336-43-4
Catalog Number	AG003E8N(AGN-PC-0L8H95)
Chemical Name	1-Chloroisoquinolin-4-ol
IUPAC Name	1-chloroisoquinolin-4-ol
InChI	InChI=1S/C9H6ClNO/c10-9-7-4-2-1-3-6(7)8(12)5-11-9/h1-5,12H
InChI Key	JEVLGPVFFYUBRI-UHFFFAOYSA-N
MDL Number	MFCD03425941
Molecular Formula	C9H6ClNO
Molecular Weight	179.6030
SMILES	OC1=CN=C(Cl)C2=C1C=CC=C2
Synonyms	1-chloroisoquinolin-4-ol, 3336-43-4, 1-Chloro-4-hydroxyisoquinoline, 4-Isoquinolinol, 1-chloro-, 1-Chloro-4-hydroxyisoquinoline, 97%, AK-89447, PubChem18457, 1-Chloroisoquinoline-4-ol, 1-Chloro-isoquinolin-4-ol, 4-Isoquinolinol,1-chloro-, AC1N7N3U, SCHEMBL1315474, 1-chloro-4-hydroxy isoquinoline, CTK4H0475, KS-00000QKS, DTXSID20401535, 1 -chloro-4-hydroxy isoquinoline, JEVLGPVFFYUBRI-UHFFFAOYSA-N, ZINC6345141, ANW-67285, CL1021, MFCD03425941, SBB054602, AKOS015897029, ACM3336434, CS-W017248, FCH1122533, OR61534, TRA0079929, AC-23146, AJ-56094, SC-65632, TS-02506, AX8237885, TX-018193, 1-CHLORO-4-HYDROXYISOQUINOLINE 97, 4CH-024220, A5951, ST24037957, I08-0308, J-019162, CID4281882,

Complexity	165
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.014g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	179.603g/mol
Monoisotopic Mass	179.014g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	33.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number