AG003IZH

395101-67-4 | 3-Bromo-1H-indazole-5-carbonitrile

AG003IZH

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CAS Number	395101-67-4
Catalog Number	AG003IZH(AGN-PC-0O9UTX)
Chemical Name	3-Bromo-1H-indazole-5-carbonitrile
IUPAC Name	3-bromo-2H-indazole-5-carbonitrile
InChI	InChI=1S/C8H4BrN3/c9-8-6-3-5(4-10)1-2-7(6)11-12-8/h1-3H,(H,11,12)
InChI Key	WVHZCDQLDZQYPH-UHFFFAOYSA-N
MDL Number	MFCD09263218
Molecular Formula	C8H4BrN3
Molecular Weight	222.0415
SMILES	N#CC1=CC2=C(NN=C2Br)C=C1
Synonyms	3-bromo-1H-indazole-5-carbonitrile, 395101-67-4, 3-bromo-2H-indazole-5-carbonitrile, 1H-Indazole-5-carbonitrile, 3-bromo-, AK-49753, PubChem23218, ACMC-1BMUK, AMBZ0274, SCHEMBL2870356, 3-Bromo-5-cyano (1H)indazole, 3-BROMO-5-CYANOINDAZOLE, CTK4I1448, DTXSID60624024, WVHZCDQLDZQYPH-UHFFFAOYSA-N, 3-Bromo-1H-5-indazolecarbonitrile, ANW-54025, CB-138, MFCD09263218, ZINC14985973, 1H-Indazole-5-carbonitrile,3-bromo-, AKOS015836077, AM85752, FCH1328487, MB07229, QC-4263, RP05213, 3-BROMO-INDAZOLE-5-CARBONITRILE, KS-0000062C, AJ-66487, BC004895, CJ-14873, DS-15143, AB0038068, AX8085172, DB-069825, TR-072522, CS-0042024, FT-0711516, Y5416, L-1411, I10-0638, J-511796, C8H4BrN3, 3-BROMO-5-CYANO INDAZOLE,

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	2.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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