AG0045FF

885278-24-0 | 6-bromo-1H-indazole-3-carbonitrile

AG0045FF

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CAS Number	885278-24-0
Catalog Number	AG0045FF(AGN-PC-0VM56G)
Chemical Name	6-bromo-1H-indazole-3-carbonitrile
IUPAC Name	6-bromo-1H-indazole-3-carbonitrile
InChI	InChI=1S/C8H4BrN3/c9-5-1-2-6-7(3-5)11-12-8(6)4-10/h1-3H,(H,11,12)
InChI Key	BNMHCHQOAQMIBU-UHFFFAOYSA-N
MDL Number	MFCD06659785
Molecular Formula	C8H4BrN3
Molecular Weight	222.0415
SMILES	N#CC1=NNC2=C1C=CC(Br)=C2
Synonyms	6-BROMO-1H-INDAZOLE-3-CARBONITRILE, 885278-24-0, 6-Bromo-3-cyanoindazole, 1H-Indazole-3-carbonitrile, 6-bromo-, 6-BROMO-3-CYANO-1H INDAZOLE, AK-37651, PubChem7813, KSC660K8P, SCHEMBL11977413, CTK5G0587, DTXSID70646555, BNMHCHQOAQMIBU-UHFFFAOYSA-N, 6-bromo-1h-indazole-3-carbonitile, BCP11558, KS-000005OQ, ANW-59777, MFCD06659785, ZINC14984924, AKOS015898368, AKOS024153944, AB26304, FCH1380311, FS-3659, MP-1802, RP27358, AC-28271, AJ-66264, AN-26635, BBV-40256418, BC003287, CJ-14811, SC-53867, AX8029818, DB-077746, ST2412198, TC-148522, 4CH-013189, AM20120480, CS-0037687, FT-0655453, Z5263, 6-BROMO-1H-INDAZOLE-3-CARBOXYNITRILE, A21606, 278B240, I10-0605, I14-3982, J-518301, C8H4BrN3, C2297,

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-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number