AG008XVM

104704-40-7 | 4-Bromo-1-methyl-isoquinoline

AG008XVM

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CAS Number	104704-40-7
Catalog Number	AG008XVM(AGN-PC-0JTT2B)
Chemical Name	4-Bromo-1-methyl-isoquinoline
IUPAC Name	4-bromo-1-methylisoquinoline
InChI	InChI=1S/C10H8BrN/c1-7-8-4-2-3-5-9(8)10(11)6-12-7/h2-6H,1H3
InChI Key	IXDMPRODBWENBR-UHFFFAOYSA-N
MDL Number	MFCD11506150
Molecular Formula	C10H8BrN
Molecular Weight	222.0812
SMILES	CC1=NC=C(Br)C2=C1C=CC=C2
Synonyms	4-Bromo-1-methylisoquinoline, 104704-40-7, 4-BROMO-1-METHYL-ISOQUINOLINE, Isoquinoline, 4-bromo-1-methyl-, AK162343, AC1LD7QV, SCHEMBL2345378, 4-Bromo-1-methylisoquinoline #, DTXSID60346613, IXDMPRODBWENBR-UHFFFAOYSA-N, 2678AJ, MFCD11506150, ZINC32253572, AKOS024463825, DS-7770, FCH1404225, QC-9385, SC-21484, AX8265683, DB-059179, FT-0720138, Z-6920, C10H8BrN, 1-Bromo-4-methylisoquinoline, CID613570, ACN-044915,

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

Certificate of Analysis

Lot Number