AG003IZA

90481-77-9 | 3-Bromo-1-(p-toluenesulfonyl)indole

AG003IZA

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CAS Number	90481-77-9
Catalog Number	AG003IZA(AGN-PC-004FKC)
Chemical Name	3-Bromo-1-(p-toluenesulfonyl)indole
IUPAC Name	3-bromo-1-(4-methylphenyl)sulfonylindole
InChI	InChI=1S/C15H12BrNO2S/c1-11-6-8-12(9-7-11)20(18,19)17-10-14(16)13-4-2-3-5-15(13)17/h2-10H,1H3
InChI Key	VQWIINXTMHBRDW-UHFFFAOYSA-N
MDL Number	MFCD09260442
Molecular Formula	C15H12BrNO2S
Molecular Weight	350.2303
SMILES	O=S(N1C=C(Br)C2=C1C=CC=C2)(C3=CC=C(C)C=C3)=O
Synonyms	3-Bromo-1-tosyl-1H-indole, 90481-77-9, 3-BROMO-1-(P-TOLUENESULFONYL)INDOLE, 3-Bromo-N-(p-toluenesulfonyl)indole, 3-Bromo-1-tosylindole, ACMC-209r6e, 1-Tosyl-3-bromo-1H-indole, SCHEMBL517434, CTK3I5895, DTXSID40458900, VQWIINXTMHBRDW-UHFFFAOYSA-N, CS-M3673, ANW-39492, MFCD09260442, ZINC13379649, AKOS015835805, AB49974, AJ-63761, AK134168, CJ-14373, 3-bromo-1-(toluene-4-sulfonyl)-1H-indole, AX8255719, TR-028441, V8925, 1H-Indole, 3-bromo-1-[(4-methylphenyl)sulfonyl]-, 1H-Indole,3-bromo-1-[(4-methylphenyl)sulfonyl]-, I01-10874, 3-BROMO-1-[(4-METHYLPHENYL)SULFONYL]-1H-INDOLE, C15H12BrNO2S, CID11210274, 3-bromo-1-(4-methylphenyl)sulfonyl-indole,

Complexity	439
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	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	350.23g/mol
Monoisotopic Mass	348.977g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	47.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.3

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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