AG003IP0

31301-45-8 | 3,5-Dimethylisoxazole-4-carbonyl chloride

AG003IP0

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CAS Number	31301-45-8
Catalog Number	AG003IP0(AGN-PC-0KK7P3)
Chemical Name	3,5-Dimethylisoxazole-4-carbonyl chloride
IUPAC Name	3,5-dimethyl-1,2-oxazole-4-carbonyl chloride
InChI	InChI=1S/C6H6ClNO2/c1-3-5(6(7)9)4(2)10-8-3/h1-2H3
InChI Key	MPYGFFPGJMGVSW-UHFFFAOYSA-N
MDL Number	MFCD00052555
Molecular Formula	C6H6ClNO2
Molecular Weight	159.5703
SMILES	O=C(Cl)C1=C(C)ON=C1C
Synonyms	3,5-dimethylisoxazole-4-carbonyl chloride, 31301-45-8, 3,5-dimethyl-1,2-oxazole-4-carbonyl chloride, 4-Isoxazolecarbonyl chloride, 3,5-dimethyl-, 3,5-dimethylisoxazole-4-carbonylchloride, dimethyl-1,2-oxazole-4-carbonyl chloride, 3,5-dimethyl-4-isoxazolecarbonyl chloride, MFCD00052555, PubChem8669, ACMC-20a3wc, 3,5-dimethylisoxasole-4-carbonyl chloride, SCHEMBL193631, AC1MC576, AC1Q2Q86, CTK1C1925, DTXSID00371242, MPYGFFPGJMGVSW-UHFFFAOYSA-N, ALBB-010038, ZINC2510209, ANW-55978, BBL037778, SBB005465, STK506167, AKOS005172452, MCULE-8932775251, RP02113, TRA0041833, WT82264, 3,5-dimethyIsoxazole-4-carbonyl chloride, AJ-36407, BP-10977, SC-65700, 3,5 dimethylisoxazole-4-carbonyl chloride, 3,5-Dimethyl-isoxazole-4-carbonyl chloride, 4-Isoxazolecarbonylchloride, 3,5-dimethyl-, AB0003834, AB1008642, DB-013141, ST2410319, TR-013319, BB 0260071, D4706, FT-0614695, Y8678, X-4240, 3,5-Dimethylisoxazole-4-carboxylic acid chloride, 301D458, A820792, 3,5-DIMETHYL ISOXAZOLE-4-CARBONYL CHLORIDE, J-511359, 3,5-Dimethylisoxazole-4-carbonyl chloride, AldrichCPR, ZINC02510209, CID2736265, 5,6-Diamino-2,4(1H,3H)-pyrimidinedithione, 3,5-Dimethylisoxazole-4-carbonyl chloride, 97% - 1G 1g, 4-Isoxazolecarbonyl chloride, 3,5-dimethyl- (7CI,8CI,9CI),

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	159.009g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	159.569g/mol
Monoisotopic Mass	159.009g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	43.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3265

Certificate of Analysis

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