AG00E8LM

655254-61-8 | 4-BROMO-1-[ISOCYANO-(TOLUENE-4-SULFONYL)-METHYL]-BENZENE

AG00E8LM

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CAS Number	655254-61-8
Catalog Number	AG00E8LM(AGN-PC-0KKUCY)
Chemical Name	4-BROMO-1-[ISOCYANO-(TOLUENE-4-SULFONYL)-METHYL]-BENZENE
IUPAC Name	1-[(4-bromophenyl)-isocyanomethyl]sulfonyl-4-methylbenzene
InChI	InChI=1S/C15H12BrNO2S/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	AMMDZRMHSZRYRW-UHFFFAOYSA-N
MDL Number	MFCD04114782
Molecular Formula	C15H12BrNO2S
Molecular Weight	350.2303
SMILES	CC1=CC=C(C=C1)S(=O)(=O)C([N+]#[C-])C1=CC=C(Br)C=C1
Synonyms	655254-61-8, a-Tosyl-(4-bromobenzyl) isocyanide, 1-bromo-4-(isocyano(tosyl)methyl)benzene, a-Tosyl-(4-bromobenzyl)isocyanide, 4-Bromo-1-[isocyano-(toluene-4-sulfonyl)-methyl]-benzene, 4-Bromo-1-[isocyano-(toluene-4-sulfonyl)methyl]benzene, 1-[(4-bromophenyl)(isocyano)methanesulfonyl]-4-methylbenzene, (4-Bromophenyl)(isocyano)methyl 4-methylphenyl sulphone, 4-Bromo-1-[isocyano(toluene-4-sulphonyl)]methylbenzene, (4-BROMOPHENYL)(ISOCYANO)METHYL 4-METHYLPHENYL SULFONE, AC1MCKFP, PubChem11918, SCHEMBL4799859, CTK5C2830, DTXSID30378067, AMMDZRMHSZRYRW-UHFFFAOYSA-N, KS-00001OT3, ZX-AT002890, MFCD04114782, AKOS005257327, AB18973, DS-8563, GL-0218, OR01701, RTR-022294, AK-17403, BC003619, BR-17403, AB0026084, DB-001455, TR-022294, FT-0604147, W7677, S-4071, [1-(4-BROMOPHENYL)-1-TOSYL]METHYL ISOCYANIDE, 4-Bromo-1-[isocyano(toluene-4-sulfonyl)methyl]benzene, 1-[(4-bromophenyl)-isocyanomethyl]sulfonyl-4-methylbenzene, 1-bromo-4-[isocyano(4-methylbenzenesulfonyl)methyl]benzene, 1-Bromo-4-[isocyano(4-methylbenzene-1-sulfonyl)methyl]benzene, Benzene,1-bromo-4-[isocyano[(4-methylphenyl)sulfonyl]methyl]-, 1-BROMO-4-[ISOCYANO[(4-METHYLPHENYL)SULFONYL]METHYL]BENZENE, C15H12BrNO2S, -Tosyl-(4-bromobenzyl)isocyanide, ?-Tosyl-(4-bromobenzyl)isocyanide, |A-Tosyl-(4-bromobenzyl)isocyanide, CID2771757, A8883, 4-BROMO-1-[ISOCYANO- -METHYL]-BENZENE, 1-[(4-bromophenyl)-isocyano-methyl]sulfonyl-4-methyl-benzene,

Complexity	460
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	348.977g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	350.23g/mol
Monoisotopic Mass	348.977g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.9A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.7

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

Lot Number