AG003IZ9

99655-68-2 | 3-Bromo-1-(phenylsulfonyl)-1H-indole

AG003IZ9

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CAS Number	99655-68-2
Catalog Number	AG003IZ9(AGN-PC-0KKXDB)
Chemical Name	3-Bromo-1-(phenylsulfonyl)-1H-indole
IUPAC Name	1-(benzenesulfonyl)-3-bromoindole
InChI	InChI=1S/C14H10BrNO2S/c15-13-10-16(14-9-5-4-8-12(13)14)19(17,18)11-6-2-1-3-7-11/h1-10H
InChI Key	MXPFKHHDXIJNDX-UHFFFAOYSA-N
MDL Number	MFCD02681986
Molecular Formula	C14H10BrNO2S
Molecular Weight	336.2037
SMILES	BrC1=CN(C2=C1C=CC=C2)S(=O)(=O)C1=CC=CC=C1
Synonyms	99655-68-2, 3-BROMO-1-(PHENYLSULFONYL)-1H-INDOLE, 3-Bromo-1-(phenylsulfonyl)indole, 1-(benzenesulfonyl)-3-bromoindole, 1-Benzenesulfonyl-3-bromo-1H-indole, 1-Phenylsulfonyl-3-bromoindole, 1-(Benzenesulphonyl)-3-bromo-1H-indole, 3-Bromo-1-(phenylsulphonyl)-1H-indole, MFCD02681986, 1-(benzenesulfonyl)-3-bromo-1H-indole, 3-BROMO-1-BENZENESULPHONYLINDOLE, 1H-Indole, 3-bromo-1-(phenylsulfonyl)-, J-503491, AC1MCQSW, PubChem23991, ACMC-209sdo, SCHEMBL1996382, 1-Benzenesulfonyl-3-bromoindole, 1-Phenylsulphonyl-3-bromoindole, CTK3I6425, KS-00002ANX, DTXSID10379895, BUTTPARK 98\04-08, MXPFKHHDXIJNDX-UHFFFAOYSA-N, ZINC158574, CS-B1019, ZX-AT004486, 1-(Benzenesulfonyl)-3-bromo-indole, ANW-41050, KM3512, 1-benzene-sulfonyl-3-bromo-1H-indole, AKOS015835795, 1-(Phenylsulfonyl)-3-bromo-1H-indole, B2272G1, CB-2267, HCH0021150, MCULE-3597279615, OR23046, PS-7014, QC-5145, RP07002, TRA0029025, 3-Bromo-(1-phenylsulfonyl)indole, 95%, AJ-15225, BC004997, CJ-01765, SC-72340, SY033652, ZB006944, AB0037605, AX8029980, TR-038813, FT-0615115, Y4898, MFCD02681986 (95%), 3-BROMO-1H-INDOL-1-YL PHENYL SULPHONE, I10-1545, C14H10BrNO2S, ZINC00158574, CID2776215, 2-(benzenesulfonyl)-3-bromo-1H-indole,

Complexity	414
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	334.962g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	336.203g/mol
Monoisotopic Mass	334.962g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	47.4A^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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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