AG0000L3

1000343-06-5 | 5-Bromo-6-iodo-1H-indole

AG0000L3

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CAS Number	1000343-06-5
Catalog Number	AG0000L3(AGN-PC-04Q66W)
Chemical Name	5-Bromo-6-iodo-1H-indole
IUPAC Name	5-bromo-6-iodo-1H-indole
InChI	InChI=1S/C8H5BrIN/c9-6-3-5-1-2-11-8(5)4-7(6)10/h1-4,11H
InChI Key	PMBYXSFYQDBLEF-UHFFFAOYSA-N
MDL Number	MFCD09880052
Molecular Formula	C8H5BrIN
Molecular Weight	321.9405
SMILES	IC1=CC2=C(C=C1Br)C=CN2
Synonyms	5-bromo-6-iodo-1H-indole, 1000343-06-5, 5-Bromo-6-iodoindole, 1H-Indole, 5-bromo-6-iodo-, DTXSID70646818, ZINC42689378, AKOS026727972, FCH1394868, FT-0765392, EN300-139235, W-1168,

Complexity	153
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	320.865g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	321.943g/mol
Monoisotopic Mass	320.865g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	15.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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