AG006UBE

152300-56-6 | Methyl 4-bromo-1,2,5-thiadiazole-3-carboxylate

AG006UBE

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CAS Number	152300-56-6
Catalog Number	AG006UBE(AGN-PC-0Q6B4P)
Chemical Name	Methyl 4-bromo-1,2,5-thiadiazole-3-carboxylate
IUPAC Name	methyl 4-bromo-1,2,5-thiadiazole-3-carboxylate
InChI	InChI=1S/C4H3BrN2O2S/c1-9-4(8)2-3(5)7-10-6-2/h1H3
InChI Key	HJPUHNZGOZGRMJ-UHFFFAOYSA-N
MDL Number	MFCD10478334
Molecular Formula	C4H3BrN2O2S
Molecular Weight	223.0478
SMILES	COC(=O)C1=NSN=C1Br
Synonyms	Methyl 4-bromo-1,2,5-thiadiazole-3-carboxylate, 152300-56-6, 1,2,5-Thiadiazole-3-carboxylic acid, 4-bromo-, methyl ester, AK-28803, 4-bromo-1,2,5-thiadiazole-3-carboxylic acid methyl ester, C4H3BrN2O2S, SCHEMBL9296458, CTK8C1456, KS-00000LWX, DTXSID70597417, 7639AA, ANW-66681, MFCD10478334, ZINC40166202, AKOS002676265, CS-W006536, FCH1400068, BBV-40276175, DS-11159, SC-84136, AJ-101602, AX8052914, TC-155426, FT-0645841, 300T566, A809285, I09-0584, methyl 4-bromanyl-1,2,5-thiadiazole-3-carboxylate, 2-(3,4-Dichlorophenyl)-4-hydroxybutylamine,

Complexity	145
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.91g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	223.044g/mol
Monoisotopic Mass	221.91g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	80.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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