AG008U1G

1204298-52-1 | 4-Bromo-6-methylisoquinoline

AG008U1G

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CAS Number	1204298-52-1
Catalog Number	AG008U1G(AGN-PC-07YNDE)
Chemical Name	4-Bromo-6-methylisoquinoline
IUPAC Name	4-bromo-6-methylisoquinoline
InChI	InChI=1S/C10H8BrN/c1-7-2-3-8-5-12-6-10(11)9(8)4-7/h2-6H,1H3
InChI Key	UQKURXKBUHYNAT-UHFFFAOYSA-N
MDL Number	MFCD12922845
Molecular Formula	C10H8BrN
Molecular Weight	222.0812
SMILES	CC1=CC2=C(C=C1)C=NC=C2Br
Synonyms	4-Bromo-6-methylisoquinoline, 1204298-52-1, MFCD12922845, SCHEMBL17981072, CTK4B1862, KS-00000QFF, DTXSID70676670, ANW-66217, ZINC44832013, AKOS015842592, CB-3488, RP05220, AK-79827, DA-19314, DS-17763, AB0037898, AJ-110212, TC-068297, FT-0685917, Y5231, C-2444, AS-813/43502126, J-514785, W-205091, C10H8BrN,

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

Certificate of Analysis

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