AG003J2S

887338-48-9 | 3-Bromo-5-fluoro-1-(p-toluenesulfonyl)indole

AG003J2S

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CAS Number	887338-48-9
Catalog Number	AG003J2S(AGN-PC-0CWQUR)
Chemical Name	3-Bromo-5-fluoro-1-(p-toluenesulfonyl)indole
IUPAC Name	3-bromo-5-fluoro-1-(4-methylphenyl)sulfonylindole
InChI	InChI=1S/C15H11BrFNO2S/c1-10-2-5-12(6-3-10)21(19,20)18-9-14(16)13-8-11(17)4-7-15(13)18/h2-9H,1H3
InChI Key	GUWFEADJNZQXFC-UHFFFAOYSA-N
MDL Number	MFCD22205881
Molecular Formula	C15H11BrFNO2S
Molecular Weight	368.2207
SMILES	O=S(N1C=C(Br)C2=C1C=CC(F)=C2)(C3=CC=C(C)C=C3)=O
Synonyms	3-Bromo-5-fluoro-1-(p-toluenesulfonyl)indole, 887338-48-9, 3-bromo-5-fluoro-1-[(4-methylphenyl)sulfonyl]-1H-Indole, 1H-Indole, 3-bromo-5-fluoro-1-[(4-methylphenyl)sulfonyl]-, SCHEMBL12449919, KS-00000DIB, 5833AJ, MFCD22205881, ZINC90395697, 3-Bromo-5-fluoro-1-tosyl-1H-indole, AKOS027257048, CS-11412, DA-18997, SY019771, TC-307405, CS-0038506, FT-0751322, MFCD22205881 (95%), C15H11BrFNO2S, 86620-62-4,

Complexity	473
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	366.968g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	368.22g/mol
Monoisotopic Mass	366.968g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	47.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.4

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