AG000R4A

1260760-06-2 | 3-Isoquinolinamine, 8-bromo-

AG000R4A

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CAS Number	1260760-06-2
Catalog Number	AG000R4A(AGN-PC-0WD4ES)
Chemical Name	3-Isoquinolinamine, 8-bromo-
IUPAC Name	8-bromoisoquinolin-3-amine
InChI	InChI=1S/C9H7BrN2/c10-8-3-1-2-6-4-9(11)12-5-7(6)8/h1-5H,(H2,11,12)
InChI Key	MELBFTIXTXTDDR-UHFFFAOYSA-N
MDL Number	MFCD15526547
Molecular Formula	C9H7BrN2
Molecular Weight	223.0693
SMILES	NC1=CC2=C(C=N1)C(Br)=CC=C2
Synonyms	8-BROMOISOQUINOLIN-3-AMINE, 1260760-06-2, 3-Isoquinolinamine, 8-bromo-, SCHEMBL2553675, DTXSID10697485, MFCD15526547, ZINC91692368, FCH1390902, AS-38811, SC-33304, AJ-131900, AX8283174, 8-bromo-isoquinolin-3-yl-amine,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.979g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	223.073g/mol
Monoisotopic Mass	221.979g/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
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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