AG001WD4

165806-95-1 | 1-Fluoro-4-(isocyano(tosyl)methyl)benzene

AG001WD4

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CAS Number	165806-95-1
Catalog Number	AG001WD4(AGN-PC-0NB8D0)
Chemical Name	1-Fluoro-4-(isocyano(tosyl)methyl)benzene
IUPAC Name	1-[(4-fluorophenyl)-isocyanomethyl]sulfonyl-4-methylbenzene
InChI	InChI=1S/C15H12FNO2S/c1-11-3-9-14(10-4-11)20(18,19)15(17-2)12-5-7-13(16)8-6-12/h3-10,15H,1H3
InChI Key	UXCQPEDHCCJBNL-UHFFFAOYSA-N
MDL Number	MFCD03787932
Molecular Formula	C15H12FNO2S
Molecular Weight	289.3247
SMILES	FC1=CC=C(C=C1)C([N+]#[C-])S(=O)(C2=CC=C(C)C=C2)=O
Synonyms	165806-95-1, a-Tosyl-(4-fluorobenzyl) isocyanide, 1-fluoro-4-(isocyano(tosyl)methyl)benzene, alpha-(p-Toluenesulfonyl)-4-fluorobenzylisonitrile, A-(P-TOLUENESULFONYL)-4-FLUOROBENZYLISONITRILE, a-Tosyl-(4-fluorobenzyl)isocyanide, MFCD03787932, (4-Fluorophenyl)(isocyano)methyl 4-methylphenyl sulphone, alpha-[(4-Methylphenyl)sulphonyl]-4-fluorobenzylisonitrile, alpha-(p-Toluenesulfonyl)-4-fluorobezylisonitrile, 1-((4-fluorophenyl)(isocyano)methylsulfonyl)-4-methylbenzene, 1-fluoro-4-{isocyano[(4-methylphenyl)sulfonyl]methyl}benzene, 1-FLUORO-4-[ISOCYANO[(4-METHYLPHENYL)SULFONYL]METHYL]BENZENE, alpha-Tosyl-4-fluorobenzyl isocyanide, PubChem11924, SCHEMBL992209, CTK8E5621, DTXSID90445502, ZX-AP001704, PC8908, AKOS015909340, alpha-tosyl-(4-fluorobenzal)isocyanide, AB15903, RP29999, RTR-007142, alpha-Tosyl-(4-chlorobenzyl) isocyanide, AK-17407, AS-30573, BR-17407, AB0022687, AX8015836, TR-007142, (p-toluenesulfonyl)-4-fluorobenzylisonitrile, a-(p-Tolylsulfonyl)-4-fluorobenzylisocyanide, FT-0604151, W3603, alpha-(p-Toluenesulfonyl)4fluorobenzylisonitrile, S-3318, alpha-(p-toluenesulfonyl)-4-fluorobenzylisonitile, alpha-(p-Toluenesulfonyl)-4-fluorobenzylisocyanide, C-18177, alpha-(p-toluene-sulfonyl)-4-fluorobenzyl isocyanide, alpha-(p-toluenesulfonyl)-4-fluoro-benzylisonitrile, alpha-(p-toluenesulfonyl)-4-fluorobenzyl isocyanide, J-519603, I14-33163, [1-(4-FLUOROPHENYL)-1-TOSYL]METHYL ISOCYANIDE, 1-fluoro-4-[isocyano(4-methylbenzenesulfonyl)methyl]benzene, alpha - (p - Toluenesulfonyl) - 4 - fluorobenzylisonitrile, 1-[(4-fluorophenyl)(isocyano)methanesulfonyl]-4-methylbenzene, 1-[1-Isocyano-1-(toluene-4-sulfonyl)-methyl]-4-fluorobenzene, 1-Fluoro-4-[isocyano(4-methylbenzene-1-sulfonyl)methyl]benzene, Benzene, 1-fluoro-4-[isocyano[(4-methylphenyl)sulfonyl]methyl]-, BENZENE,1-FLUORO-4-[ISOCYANO[(4-METHYLPHENYL)SULFONYL]METHYL]-, C15H12FNO2S, UXCQPEDHCCJBNL-UHFFFAOYSA-N, |A-Tosyl-(4-fluorobenzyl)isocyanide, ACN-043753, CID10827289, CID 10827289, A3676, |A-(p-toluenesulfonyl)-4-fluorobenzylisonitrile, S-1012,

Complexity	460
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	289.057g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	289.324g/mol
Monoisotopic Mass	289.057g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.9A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P301+P310-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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