AG00DBD9

55694-81-0 | 1-Methyl-1H-imidazole-2-sulfonyl chloride

AG00DBD9

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CAS Number	55694-81-0
Catalog Number	AG00DBD9(AGN-PC-00DKKL)
Chemical Name	1-Methyl-1H-imidazole-2-sulfonyl chloride
IUPAC Name	1-methylimidazole-2-sulfonyl chloride
InChI	InChI=1S/C4H5ClN2O2S/c1-7-3-2-6-4(7)10(5,8)9/h2-3H,1H3
InChI Key	VIGPKJYEYGGCLK-UHFFFAOYSA-N
MDL Number	MFCD16621450
Molecular Formula	C4H5ClN2O2S
Molecular Weight	180.6127
SMILES	O=S(C1=NC=CN1C)(Cl)=O
Synonyms	1-Methyl-1H-imidazole-2-sulfonyl chloride, 55694-81-0, 1-methylimidazole-2-sulfonyl Chloride, 1H-Imidazole-2-sulfonyl chloride, 1-methyl-, EN300-77790, SCHEMBL604082, CTK1F6298, DTXSID20470140, VIGPKJYEYGGCLK-UHFFFAOYSA-N, 1-methylimidazole sulphonylchloride, 2-Chlorosulfonyl-1-methylimidazole, ANW-53392, BBL102127, MFCD16621450, STL555926, AKOS015999498, ZINC100007213, 1-Methylimidazole-2-sulphonyl chloride, AB71408, EBD2222543, FCH3448626, LS40321, AK-93515, AS-49402, SC-71809, AX8230900, TC-142137, 1-Methylimidazole-2-sulfonyl chloride, 95%, 4CH-011752, ST24021339, Y5825, F1905-0062, C4H5ClN2O2S, CID11658383,

Complexity	210
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.976g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	180.606g/mol
Monoisotopic Mass	179.976g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	60.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H314-H334
Precuationary statements	P280-P305+P351+P338-P310
Siginal words

Certificate of Analysis

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