AG00H01X

898747-00-7 | 6-Bromo-1H-indazole-4-carbonitrile

AG00H01X

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CAS Number	898747-00-7
Catalog Number	AG00H01X(AGN-PC-0WD05B)
Chemical Name	6-Bromo-1H-indazole-4-carbonitrile
IUPAC Name	6-bromo-1H-indazole-4-carbonitrile
InChI	InChI=1S/C8H4BrN3/c9-6-1-5(3-10)7-4-11-12-8(7)2-6/h1-2,4H,(H,11,12)
InChI Key	ILGPSFSWRANYDT-UHFFFAOYSA-N
MDL Number	MFCD08458976
Molecular Formula	C8H4BrN3
Molecular Weight	222.0415
SMILES	BrC1=CC(C#N)=C2C=NNC2=C1
Synonyms	6-Bromo-1H-indazole-4-carbonitrile, 898747-00-7, 6-Bromo-4-cyanoindazole, AK-59593, SCHEMBL459141, CTK5G3647, DTXSID50646573, ILGPSFSWRANYDT-UHFFFAOYSA-N, BCP21279, ANW-57201, MFCD08458976, ZINC14984985, AKOS016002634, CS-W022450, FCH1389155, SB16329, KS-00000P20, AJ-66290, DS-16329, QC-10525, AX8217053, TX-013284, 4CH-000069, ST24024262, X5607, W-3474, C8H4BrN3, 1H-Indazole-4-carbonitrile, 6-bromo-, 374633-26-8,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.959g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	222.045g/mol
Monoisotopic Mass	220.959g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	52.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

Lot Number