AG006HL8

67914-86-7 | rac,cis-[2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate

AG006HL8

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CAS Number	67914-86-7
Catalog Number	AG006HL8(AGN-PC-0TQG8A)
Chemical Name	rac,cis-[2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate
IUPAC Name	[(2R,4R)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate
InChI	InChI=1S/C14H15Cl2N3O5S/c1-25(20,21)23-6-11-5-22-14(24-11,7-19-9-17-8-18-19)12-3-2-10(15)4-13(12)16/h2-4,8-9,11H,5-7H2,1H3/t11-,14+/m1/s1
InChI Key	QIMASXGTWQEFGS-RISCZKNCSA-N
MDL Number	MFCD06410887
Molecular Formula	C14H15Cl2N3O5S
Molecular Weight	408.2570
SMILES	O=S(C)(OC[C@H]1O[C@](CN2N=CN=C2)(OC1)C3=CC=C(C=C3Cl)Cl)=O
Synonyms	67914-86-7, cis-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-ylmethyl methanesulphonate, cis-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolane-4-methanol methanesulfonate, C14H15Cl2N3O5S, cis-[2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate, PubChem20729, [(2R,4R)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate, Itraconazole Sulfonate Impurity, CTK8F8679, ZINC2274715, AC-329, AKOS015961384, AS-14152, CIS-[2-(2,4-DICHLOROPHENYL)-2-(1H-1,2,4-TRIAZOL-1-YL-METHYL)-1,3-DIOXOLAN-4-YL]METHYL METHANESULFONATE, K116, ST24035001, M-1055, 914D867, W-203507, UNII-T2I5SBS81M component QIMASXGTWQEFGS-RISCZKNCSA-N, UNII-TB4P756HGC component QIMASXGTWQEFGS-RISCZKNCSA-N, cis-[2-(2,4-Dichlorophenyl)-2-(1,2,4-triazol-1-yl-methyl)-1,3-dioxolan-4-yl]methyl methanesulphonate, cis-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolane-4-methanol Mesilate, Methanesulfonic acid [(2R)-2alpha-(2,4-dichlorophenyl)-2beta-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4beta-yl]methyl ester, rac,cis-[2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate, AC1LYHNC, EINECS 267-749-5, C14-H15-Cl2-N3-O5-S, CID1900032, AN-15932, BAS 00665649, BC206649, TL8004783, (2R,4R)-rel-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolane-4-methanol Methanesulfonate, (cis-2-((1H-1,2,4-Triazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl methyl sulfate, 1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-, methanesulfonate (ester), (2R,4R)-rel-,

Complexity	563
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	407.010947g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	408.3g/mol
Monoisotopic Mass	407.010947g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	101Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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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