AG003KUU

66728-98-1 | 4-Bromo-1-chloroisoquinoline

AG003KUU

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CAS Number	66728-98-1
Catalog Number	AG003KUU(AGN-PC-0JRHJI)
Chemical Name	4-Bromo-1-chloroisoquinoline
IUPAC Name	4-bromo-1-chloroisoquinoline
InChI	InChI=1S/C9H5BrClN/c10-8-5-12-9(11)7-4-2-1-3-6(7)8/h1-5H
InChI Key	HRWILRGBDZGABZ-UHFFFAOYSA-N
MDL Number	MFCD00234469
Molecular Formula	C9H5BrClN
Molecular Weight	242.4997
SMILES	C1=CC=CC2=C(N=CC(=C12)Br)Cl
Synonyms	4-Bromo-1-chloroisoquinoline, 66728-98-1, 4-bromo-1-chloro-isoquinoline, 1-chloro-4-bromoisoquinoline, Isoquinoline, 4-bromo-1-chloro-, MFCD00234469, ACMC-1BEKM, 4-Brom-1-chlorisochinolin, 4-bromo-1 chloroisoquinoline, 4-bromo-1-chloroisoqionoline, 4-Brom-1-chlor-isochinolin;, 1-chloro-4-bromo-isoquinoline, 4-bromo-1-chloroisoqionoline;, 4-bromo-1-chloroisoquinoline;, AC1LA169, SCHEMBL1396177, 1-chloro-4-bromo-isoquinoline;, 4-bromo-1-chloro-isoquinoline;, Isoquinoline,4-bromo-1-chloro-, CTK5C5108, KS-00000DJF, DTXSID40332695, HRWILRGBDZGABZ-UHFFFAOYSA-N, ZINC331125, 4-bromanyl-1-chloranyl-isoquinoline, ACT10197, CS-D1629, ANW-35245, CB0246, EBD257769, AKOS015851332, AC-7098, AN-9360, MB01037, QC-4018, RP09481, RTC-068146, TRA0068369, VQ10181, AJ-19398, AK-23742, BC004299, BR-23742, CJ-02778, DS-10523, SC-27640, SY003964, U142, ZB010543, AB0007188, AB1001822, DB-054957, ST2411131, TC-068146, 4CH-004643, AM20061431, FT-0617703, UX00004628, EN300-75914, MFCD00234469 (97%), S-4109, Z-9600, 728B981, A835536, J-514540, I14-17488, null, C9H5BrClN, 1-chloro-4-bromoisquinoline, cc-374, AIDS020733, ACN-S004774, CID459766, C2857, 4-bromo-1-chloroisoquinoline, 95% - 1G 1g,

Complexity	165
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	240.929g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	242.5g/mol
Monoisotopic Mass	240.929g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number