AG002ST6

263389-54-4 | alfa-(4-Toluenesulfonyl)-4-methoxybenzylisocyanide

AG002ST6

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CAS Number	263389-54-4
Catalog Number	AG002ST6(AGN-PC-0KKUAU)
Chemical Name	alfa-(4-Toluenesulfonyl)-4-methoxybenzylisocyanide
IUPAC Name	1-[isocyano-(4-methoxyphenyl)methyl]sulfonyl-4-methylbenzene
InChI	InChI=1S/C16H15NO3S/c1-12-4-10-15(11-5-12)21(18,19)16(17-2)13-6-8-14(20-3)9-7-13/h4-11,16H,1,3H3
InChI Key	QIJRGVGFTZWYNF-UHFFFAOYSA-N
MDL Number	MFCD04114785
Molecular Formula	C16H15NO3S
Molecular Weight	301.3602
SMILES	COC1=CC=C(C=C1)C([N+]#[C-])S(=O)(C2=CC=C(C)C=C2)=O
Synonyms	263389-54-4, a-Tosyl-(4-methoxybenzyl) isocyanide, a-Tosyl-(4-methoxybenzyl)isocyanide, 1-[isocyano(4-methoxyphenyl)methanesulfonyl]-4-methylbenzene, 1-((isocyano(4-methoxyphenyl)methyl)sulfonyl)-4-methylbenzene, 1-[isocyano-(4-methoxyphenyl)methyl]sulfonyl-4-methylbenzene, Benzene, 1-[[isocyano(4-methoxyphenyl)methyl]sulfonyl]-4-methyl-, PubChem11912, AC1MCKA7, SCHEMBL4797196, CTK1A7079, KS-00001OQC, QIJRGVGFTZWYNF-UHFFFAOYSA-N, ZX-AT017048, MFCD04114785, AKOS005257480, alpha-Tosyl-4-methoxybenzyl isocyanide, (4-methoxyphenyl)tosylmethyl isonitrile, AB18984, DS-8576, GL-0067, OR01528, ACM263389544, AK-17406, BR-17406, AB0023838, AX8016336, TR-011971, FT-0604143, W4979, S-4073, alfa-(4-Toluenesulfonyl)-4-methoxybenzylisocyanide, Isocyano(4-methoxyphenyl)methyl 4-methylphenyl sulfone, Isocyano(4-methoxyphenyl)methyl-4-methylphenyl sulphone, (4-methoxyphenyl)[(4-methylphenyl)sulfonyl]methanisocyanide, 1-[isocyano(4-methylbenzenesulfonyl)methyl]-4-methoxybenzene, C16H15NO3S, |A-Tosyl-(4-methoxybenzyl)isocyanide, CID2771655, (4-Methoxyphenyl)[(4-methylphenyl)sulfonyl]acetonitrile, ISOCYANO(4-METHOXYPHENYL)METHYL-4-METHYLPHENYL SULFONE, 1-[isocyano-(4-methoxyphenyl)methyl]sulfonyl-4-methyl-benzene,

Complexity	471
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	301.077g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	301.36g/mol
Monoisotopic Mass	301.077g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	56.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

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