AG008G8E

848501-90-6 | 2-Bromo-4-Cyanothiazole

AG008G8E

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CAS Number	848501-90-6
Catalog Number	AG008G8E(AGN-PC-07CNA2)
Chemical Name	2-Bromo-4-Cyanothiazole
IUPAC Name	2-bromo-1,3-thiazole-4-carbonitrile
InChI	InChI=1S/C4HBrN2S/c5-4-7-3(1-6)2-8-4/h2H
InChI Key	HTVHRNHOLJNKNO-UHFFFAOYSA-N
MDL Number	MFCD09909650
Molecular Formula	C4HBrN2S
Molecular Weight	189.0331
SMILES	BrC1=NC(=CS1)C#N
Synonyms	2-BROMO-4-CYANOTHIAZOLE, 848501-90-6, 2-bromothiazole-4-carbonitrile, 2-bromo-1,3-thiazole-4-carbonitrile, 4-Thiazolecarbonitrile, 2-bromo-, AK-24121, KSC924O1B, SCHEMBL3282193, CTK8C4710, DTXSID70670375, HTVHRNHOLJNKNO-UHFFFAOYSA-N, KS-00000HG7, ANW-72867, CB0254, FCH876551, MFCD09909650, ZINC40448300, AKOS006312128, CS-W005060, FS-2733, LS21071, MB08173, QC-6463, RP24866, BR-24121, CJ-20109, EN001869, AB0030969, AJ-102615, AX8158583, DB-076146, TR-026225, 4CH-004249, FT-0647893, ST24032402, X3270, S-4611, I09-1775, J-508278, C4HBrN2S, 2-Bromo-4-isocyano-thiazole, 2,5-Dimethyl-3-furoic acid, A10177,

Complexity	129
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	187.904g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	189.03g/mol
Monoisotopic Mass	187.904g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	64.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number