AG0018G3

1382847-98-4 | 4-Isoquinolinecarbonitrile, 3-amino-7-bromo-

AG0018G3

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CAS Number	1382847-98-4
Catalog Number	AG0018G3(AGN-PC-0WD3VD)
Chemical Name	4-Isoquinolinecarbonitrile, 3-amino-7-bromo-
IUPAC Name	3-amino-7-bromoisoquinoline-4-carbonitrile
InChI	InChI=1S/C10H6BrN3/c11-7-1-2-8-6(3-7)5-14-10(13)9(8)4-12/h1-3,5H,(H2,13,14)
InChI Key	QKUAUULRZLRULB-UHFFFAOYSA-N
MDL Number	MFCD22574154
Molecular Formula	C10H6BrN3
Molecular Weight	248.0787
SMILES	N#CC1=C(N)N=CC2=C1C=CC(Br)=C2
Synonyms	3-Amino-7-bromoisoquinoline-4-carbonitrile, 1382847-98-4, SCHEMBL9939229, DTXSID60737865, QKUAUULRZLRULB-UHFFFAOYSA-N, MFCD22574154, ZINC91692174, FCH2294144, AM807671, AS-38589, AB0077861, AJ-131892, AX8266976, CS-0081541, 4-Isoquinolinecarbonitrile, 3-amino-7-bromo-, X-2759,

Complexity	259
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	246.975g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	248.083g/mol
Monoisotopic Mass	246.975g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	62.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

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