AG000TA5

126811-29-8 | 1H-Indole, 7-bromo-4-chloro-

AG000TA5

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CAS Number	126811-29-8
Catalog Number	AG000TA5(AGN-PC-020YV6)
Chemical Name	1H-Indole, 7-bromo-4-chloro-
IUPAC Name	7-bromo-4-chloro-1H-indole
InChI	InChI=1S/C8H5BrClN/c9-6-1-2-7(10)5-3-4-11-8(5)6/h1-4,11H
InChI Key	ZFBAFEMIPJPWPF-UHFFFAOYSA-N
MDL Number	MFCD09749918
Molecular Formula	C8H5BrClN
Molecular Weight	230.4890
SMILES	ClC1=CC=C(Br)C2=C1C=CN2
Synonyms	7-Bromo-4-chloro-1H-indole, 126811-29-8, 4-CHLORO-7-BROMOINDOLE, 1H-Indole, 7-bromo-4-chloro-, AK113591, 4-Chloro-7-bromo indole, SCHEMBL2767894, CTK4B5347, DTXSID50595936, ZFBAFEMIPJPWPF-UHFFFAOYSA-N, 5275AA, MFCD09749918, RW3747, ZINC14986086, AKOS016009968, DS-6320, FCH1392993, QC-8126, AJ-66514, BC600289, SC-36045, AB0097140, AX8096164, DB-062507, FT-0746316, W-2029, C8H5BrClN,

Complexity	153
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.929g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	230.489g/mol
Monoisotopic Mass	228.929g/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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number