AG003IP1

80466-79-1 | 3,5-Dimethylisoxazole-4-sulfonylchloride

AG003IP1

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CAS Number	80466-79-1
Catalog Number	AG003IP1(AGN-PC-0KK7QL)
Chemical Name	3,5-Dimethylisoxazole-4-sulfonylchloride
IUPAC Name	3,5-dimethyl-1,2-oxazole-4-sulfonyl chloride
InChI	InChI=1S/C5H6ClNO3S/c1-3-5(11(6,8)9)4(2)10-7-3/h1-2H3
InChI Key	GZLPFEYTAAXJCP-UHFFFAOYSA-N
MDL Number	MFCD00052554
Molecular Formula	C5H6ClNO3S
Molecular Weight	195.6240
SMILES	S(=O)(=O)(Cl)c1c(C)noc1C
Synonyms	3,5-dimethylisoxazole-4-sulfonyl chloride, 80466-79-1, 3,5-Dimethylisoxazole-4-sulfonylchloride, 3,5-dimethylisoxazole-4-sulphonyl chloride, 3,5-dimethyl-1,2-oxazole-4-sulfonyl chloride, 3,5-dimethyl-isoxazole-4-sulfonyl chloride, dimethyl-1,2-oxazole-4-sulfonyl chloride, MFCD00052554, 3,5-dimethyl-4-isoxazolesulfonyl chloride, 4-ISOXAZOLESULFONYL CHLORIDE, 3,5-DIMETHYL-, 4-chlorosulfonyl, PubChem10131, PubChem15545, C5H6ClNO3S, AC1MC5BI, ACMC-209wv5, AC1Q2DF1, AC1Q2Q9A, SCHEMBL103900, CTK5E7822, KS-00000ERR, DTXSID10371273, GZLPFEYTAAXJCP-UHFFFAOYSA-N, WT616, ACT08518, ALBB-004733, STR05901, ANW-46863, BBL011651, SBB016796, STK280516, ZINC59681304, AKOS000117393, CS-W004125, MCULE-5760544558, PB28996, RP04023, TRA0021549, VO10032, (3,5-dimethylisoxazol-4-yl)chlorosulfone, 3,5-dimethylisoxazol-4-sulfonyl chloride, AK-36426, BP-10976, SY021558, 3,5-dimethylisoxazol-4-sulphonyl chloride, 3,5-dimethyl isoxazole-4-sulfonyl chloride, 3,5-dimethylisooxazole-4-sulfonyl chloride, AB0017966, DB-022101, ST2404647, TR-025448, BB 0218493, FT-0083105, FT-0614697, EN300-11306, MFCD00052554 (98%), Q-4510, A839920, J-511360, 3,5-dimethylisoxazole-4-sulfonyl chloride, AldrichCPR, I14-27759, 80466-79-1 3,5-dimethylisoxazole-4-sulfonyl chloride, F1983-0025, 1-BOC-3-(HYDROXY)AZETIDINE, CID2736319, R057, 4-Isoxazolesulfonyl chloride, 3,5-dimethyl- (9CI), 3,5-Dimethylisoxazole-4-sulfonyl chloride, 97% - 1G 1g, 141699-55-0,

Complexity	235
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.976g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	195.617g/mol
Monoisotopic Mass	194.976g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	68.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H319
Packing Group	Ⅲ
Precautionary statements	P305+P351+P338
UN Code	UN 1759

Certificate of Analysis

Lot Number