AG000EVM

1146298-61-4 | Isoquinoline, 5-bromo-6-methyl-

AG000EVM

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CAS Number	1146298-61-4
Catalog Number	AG000EVM(AGN-PC-05T5PS)
Chemical Name	Isoquinoline, 5-bromo-6-methyl-
IUPAC Name	5-bromo-6-methylisoquinoline
InChI	InChI=1S/C10H8BrN/c1-7-2-3-8-6-12-5-4-9(8)10(7)11/h2-6H,1H3
InChI Key	CAZBCNFFPBHCRW-UHFFFAOYSA-N
MDL Number	MFCD09264577
Molecular Formula	C10H8BrN
Molecular Weight	222.0812
SMILES	CC1=C(Br)C2=C(C=C1)C=NC=C2
Synonyms	5-BROMO-6-METHYLISOQUINOLINE, 1146298-61-4, 5-Bromo-6-methyl-isoquinoline, Isoquinoline, 5-bromo-6-methyl-, SCHEMBL15201623, CTK8C2869, DTXSID60653793, ZX-RL001713, ANW-69170, MFCD09264577, ZINC32501166, AKOS015842245, CS-W000457, FCH1392070, QC-4105, AJ-85364, AS-30188, OR300110, SC-34076, AB0070448, AX8161700, TC-069581, AM20120425, FT-0738425, I08-0372, S14-1981, ACN-038845, 5-bromo-6-methylisoquinoline, 95% - 1G 1g,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.984g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	222.085g/mol
Monoisotopic Mass	220.984g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number