AG0017E2

122531-09-3 | 1H-Indole, 5-bromo-6-chloro-

AG0017E2

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CAS Number	122531-09-3
Catalog Number	AG0017E2(AGN-PC-001D6H)
Chemical Name	1H-Indole, 5-bromo-6-chloro-
IUPAC Name	5-bromo-6-chloro-1H-indole
InChI	InChI=1S/C8H5BrClN/c9-6-3-5-1-2-11-8(5)4-7(6)10/h1-4,11H
InChI Key	SMZUROGBNBCCPT-UHFFFAOYSA-N
MDL Number	MFCD11848566
Molecular Formula	C8H5BrClN
Molecular Weight	230.4890
SMILES	ClC1=CC2=C(C=C1Br)C=CN2
Synonyms	5-Bromo-6-chloro-1H-indole, 122531-09-3, 5-Bromo-6-Chloroindole, 1H-Indole, 5-bromo-6-chloro-, 5-BROMO-6-CHLORO-INDOLE, SCHEMBL10179972, CTK8B4249, DTXSID60560074, SMZUROGBNBCCPT-UHFFFAOYSA-N, BCP05681, AN-519, ANW-44519, MFCD11848566, ZINC34291469, AKOS015999526, CS-W006751, MCULE-6163691733, QC-2680, SB15079, AC-24844, AJ-87834, AK-83173, AS-20031, BC005189, BC258470, CJ-18281, SC-22315, AB0051485, DB-062068, TC-133264, 4CH-011634, FT-0743852, ST24023976, Z4001, L-1732, Z1695822033, C8H5BrClN, 5-bromo-6-chloro indole, ACN-040442, L-Phenylalanine benzyl ester hydrochloride, 2462-32-0,

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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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