AG00959X

1184843-26-2 | 8-Chloroisoquinolin-3-amine

AG00959X

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CAS Number	1184843-26-2
Catalog Number	AG00959X(AGN-PC-0WCZUF)
Chemical Name	8-Chloroisoquinolin-3-amine
IUPAC Name	8-chloroisoquinolin-3-amine
InChI	InChI=1S/C9H7ClN2/c10-8-3-1-2-6-4-9(11)12-5-7(6)8/h1-5H,(H2,11,12)
InChI Key	YRJUVRFOIKEXMR-UHFFFAOYSA-N
MDL Number	MFCD15526548
Molecular Formula	C9H7ClN2
Molecular Weight	178.6183
SMILES	NC1=CC2=C(C=N1)C(Cl)=CC=C2
Synonyms	8-CHLOROISOQUINOLIN-3-AMINE, 1184843-26-2, 3-Amino-8-chloroisoquinoline, 3-Isoquinolinamine, 8-chloro-, SCHEMBL1396984, DTXSID70697486, YRJUVRFOIKEXMR-UHFFFAOYSA-N, MFCD15526548, ZINC91692372, CA-2175, FCH1155569, AK-42371, AS-38813, AJ-131903, AX8209708,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.03g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	178.619g/mol
Monoisotopic Mass	178.03g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	38.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301+H311+H331
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P310-P311
UN Code	UN 2811

Certificate of Analysis

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