AG003D3Z

40899-71-6 | 1-(Phenylsulfonyl)-1H-indole

AG003D3Z

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CAS Number	40899-71-6
Catalog Number	AG003D3Z(AGN-PC-0JOVAF)
Chemical Name	1-(Phenylsulfonyl)-1H-indole
IUPAC Name	1-(benzenesulfonyl)indole
InChI	InChI=1S/C14H11NO2S/c16-18(17,13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)15/h1-11H
InChI Key	VDWLCYCWLIKWBV-UHFFFAOYSA-N
MDL Number	MFCD00008768
Molecular Formula	C14H11NO2S
Molecular Weight	257.3076
SMILES	O=S(N1C=CC2=C1C=CC=C2)(C3=CC=CC=C3)=O
Synonyms	1-(Phenylsulfonyl)-1H-indole, 40899-71-6, 1-(Phenylsulfonyl)indole, 1-(benzenesulfonyl)indole, 1-(benzenesulfonyl)-1H-indole, 1-phenylsulfonyl-1H-indole, 1-Benzenesulfonyl-1H-indole, CHEMBL82224, VDWLCYCWLIKWBV-UHFFFAOYSA-N, MFCD00134318, NSC683530, AK-48230, J-503598, N-Phenylsulfonylindole, 1-(Phenylsulfonyl) indole, NSC237040, (phenylsulfonyl)indole, 1-phenylsulfonylindole, N-phenylsulfonyl indole, 1-Phenylsulfonyl-indole, ACMC-1AKFU, AC1L7QSO, 1-(Phenylsulphonyl)indole, 1-(Phenylsulfonyl)-indole, 1-benzenesulfonyl-1H-indol, Cambridge id 5100169, 1-benzenesulphonyl-1H-indole, CBDivE_002895, MLS000104364, SCHEMBL429849, 1H-indol-1-yl phenyl sulfone, ARONIS001276, IFLab1_005965, 1H-Indole,1-(phenylsulfonyl)-, 1-(Phenylsulfonyl)indole, 98%, CTK4I3973, KS-00000LCZ, DTXSID60311068, CHEBI:121042, HMS1428P03, HMS2300D04, ZINC142373, ACT06916, KS-00003US1, MIX-0056, ZX-AT010794, ZX-AV000707, ZX-BK000534, ANW-29524, BBL020375, BDBM50187508, CP-171, OR9238, STK893129, AKOS000491210, AB03736, CM10929, MCULE-1115192464, NSC-237040, NSC-683530, RP29172, TRA0002424, VI30109, ACM40899716, IDI1_011368, 1H-INDOLE, 1-(PHENYLSULFONYL)-, AC-13612, AJ-12457, BR-48230, CC-02488, CJ-01068, SC-46437, SMR000054299, ST039848, TS-03468, ZB004933, AB0024800, AX8004452, BB0258913, DB-005055, ST2403272, TC-020203, BB 0258913, FT-0081149, FT-0601083, W6143, A23316, K-8693, AG-690/12868319, C-16012, I10-1461, F1443-1037, C14H11NO2S, CID315017, 1-(Phenylsulfonyl)indole, 97% - 1G 1g, 18474-60-7,

Complexity	381
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	257.051g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	257.307g/mol
Monoisotopic Mass	257.051g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	47.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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