AG00161C

121788-77-0 | Methanesulfonamide, N,N'-[(1S,2S)-1,2-diphenyl-1,2-ethanediyl]bis[1,1,1-trifluoro-

AG00161C

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CAS Number	121788-77-0
Catalog Number	AG00161C(AGN-PC-0PFS28)
Chemical Name	Methanesulfonamide, N,N'-[(1S,2S)-1,2-diphenyl-1,2-ethanediyl]bis[1,1,1-trifluoro-
IUPAC Name	N-[(1S,2S)-1,2-diphenyl-2-(trifluoromethylsulfonylamino)ethyl]-1,1,1-trifluoromethanesulfonamide
InChI	InChI=1S/C16H14F6N2O4S2/c17-15(18,19)29(25,26)23-13(11-7-3-1-4-8-11)14(12-9-5-2-6-10-12)24-30(27,28)16(20,21)22/h1-10,13-14,23-24H/t13-,14-/m0/s1
InChI Key	XQAIGOHPAZPGOU-KBPBESRZSA-N
MDL Number	MFCD01321159
Molecular Formula	C16H14F6N2O4S2
Molecular Weight	476.4138
SMILES	O=S(C(F)(F)F)(N[C@@H](C1=CC=CC=C1)[C@@H](NS(C(F)(F)F)(=O)=O)C2=CC=CC=C2)=O
Synonyms	121788-77-0, (S,S)-N,N'-Bis(trifluoromethanesulfonyl)-1,2-diphenylethylenediamine, N,N'-((1S,2S)-1,2-diphenylethane-1,2-diyl)bis(1,1,1-trifluoromethanesulfonamide), (S,S)-1,2-Bis(trifluoromethanesulfonamido)-1,2-diphenylethane, (S,S)-N,N'-BIS(TRIFLUOROMETHYLSULFONYL)-1,2-DIPHENYLETHYLENEDIAMINE, C16H14F6N2O4S2, N,N'-[(1S,2S)-1,2-Diphenylethane-1,2-diyl]bis(1,1,1-trifluoromethanesulfonamide), AK-55475, CTK0H3866, KS-00000LQN, DTXSID20426546, ZINC2379592, 4136AA, ANW-17867, MFCD01321159, AKOS015853157, RTR-003536, SC11729, AJ-34613, DS-14809, AB1011208, AX8049310, TR-003536, D2521, 788S770, J-004680, (s,s)-n,n-bis(trifluoromethanesulfonyl)-1,2-diphenylethylenediamine, N,N'-[(1S,2S)-1,2-Diphenylethylene]bis(trifluoromethanesulfonamide), SS,S)-N,N'-bis(trifluoromethanesulfonyl)-1,2-diphenylethylenediamine, (1S,2S)-N,N-Bis(trifluoromethanesulfonyl)-1,2-diphenylethylenediamine,99%e.e., Methanesulfonamide, N,N'-[(1S,2S)-1,2-diphenyl-1,2-ethanediyl]bis[1,1,1-trifluoro-, XQAIGOHPAZPGOU-KBPBESRZSA-N, ZINC02379592, ACN-043455, CID7009144,

Complexity	694
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	476.03g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	476.408g/mol
Monoisotopic Mass	476.03g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	109A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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