AG002DA7

201227-39-6 | 1H-Indazole-3-carbonitrile, 5-bromo-

AG002DA7

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CAS Number	201227-39-6
Catalog Number	AG002DA7(AGN-PC-04Q5R6)
Chemical Name	1H-Indazole-3-carbonitrile, 5-bromo-
IUPAC Name	5-bromo-1H-indazole-3-carbonitrile
InChI	InChI=1S/C8H4BrN3/c9-5-1-2-7-6(3-5)8(4-10)12-11-7/h1-3H,(H,11,12)
InChI Key	QIULWQLXNFSZJG-UHFFFAOYSA-N
MDL Number	MFCD07371567
Molecular Formula	C8H4BrN3
Molecular Weight	222.0415
SMILES	N#CC1=NNC2=C1C=C(Br)C=C2
Synonyms	5-bromo-1H-indazole-3-carbonitrile, 201227-39-6, 1H-INDAZOLE-3-CARBONITRILE, 5-BROMO-, AK-32128, W-206484, MFCD07371567, 1H-Indazole-3-carbonitrile,5-bromo-, PubChem7808, 5-bromo-3-cyanoindazole, 5-Bromo-3-cyano-1H-indazole, SCHEMBL1758957, 5-Bromo-indazole-3-carbonitrile, CTK4E3336, DTXSID60646569, QIULWQLXNFSZJG-UHFFFAOYSA-N, ZX-AT010381, ANW-59900, SBB067620, ZINC14984973, 3h-indazole-3-carbonitrile,5-bromo-, 5-BROMO-3-CYANO-1H INDAZOLE, AKOS015835946, 5-bromanyl-1H-indazole-3-carbonitrile, AB32613, CB-2887, FCH1382931, OR30737, RP05212, AC-29508, ACM201227396, AJ-66284, AJ-66285, AN-30167, BBV-40259038, BC003286, DS-11763, EN001930, SY036710, AB0040533, AX8027959, TC-010147, AM20030295, CS-0030498, FT-0653712, ST24044379, Y8154, 5-BROMO-1H-INDAZOLE-3-CARBOXYNITRILE, MFCD07371567 (95%), L-1458, 227B396, A814260, 882855-93-8, C8H4BrN3, 3-methyl-1H-indazole hydrochloride, ACN-051278, C2254,

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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