AG00C9FW

34551-41-2 | 5-Bromo-1-chloroisoquinoline

AG00C9FW

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CAS Number	34551-41-2
Catalog Number	AG00C9FW(AGN-PC-037D7K)
Chemical Name	5-Bromo-1-chloroisoquinoline
IUPAC Name	5-bromo-1-chloroisoquinoline
InChI	InChI=1S/C9H5BrClN/c10-8-3-1-2-7-6(8)4-5-12-9(7)11/h1-5H
InChI Key	XUWFLTLTPVIRCV-UHFFFAOYSA-N
MDL Number	MFCD08703278
Molecular Formula	C9H5BrClN
Molecular Weight	242.4997
SMILES	BrC1=C2C(=CC=C1)C(=NC=C2)Cl
Synonyms	5-BROMO-1-CHLOROISOQUINOLINE, 34551-41-2, 1-Chloro-5-bromoisoquinoline, Isoquinoline, 5-bromo-1-chloro-, 5-bromo-1-chloroisoquinolin, SCHEMBL1134001, Isoquinoline,5-bromo-1-chloro-, CTK4H2580, DTXSID70611283, EBD4619, XUWFLTLTPVIRCV-UHFFFAOYSA-N, ACT10198, CS-D0858, KS-00000F1P, ZINC4992342, ANW-50096, MFCD08703278, RW3526, 5-BROMO-1-CHLORO-ISOQUINOLINE, AKOS001788039, AB48461, CB-3481, CM10590, MCULE-2304981918, QC-3116, AJ-52801, AK-49018, BR-49018, CJ-12376, DS-14859, SC-33509, AB0024360, AB1010355, DB-069023, TR-014296, 4CH-002342, AM20051098, FT-0660839, ST24032907, W5616, S-5883, F8881-4323, 1-Chloro-5-bromoisoquinoline; 5-Bromo-1-chloro-isoquinoline, C9H5BrClN, ACN-S004830, 5-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