AG008G21

864866-92-2 | 1(2H)-Isoquinolinone,6-bromo-2-methyl-(9CI)

AG008G21

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CAS Number	864866-92-2
Catalog Number	AG008G21(AGN-PC-03ZCVA)
Chemical Name	1(2H)-Isoquinolinone,6-bromo-2-methyl-(9CI)
IUPAC Name	6-bromo-2-methylisoquinolin-1-one
InChI	InChI=1S/C10H8BrNO/c1-12-5-4-7-6-8(11)2-3-9(7)10(12)13/h2-6H,1H3
InChI Key	XWALISSRSGMCSU-UHFFFAOYSA-N
MDL Number	MFCD11858430
Molecular Formula	C10H8BrNO
Molecular Weight	238.0806
SMILES	O=C1N(C)C=CC2=C1C=CC(Br)=C2
Synonyms	6-Bromo-2-methylisoquinolin-1(2H)-one, 864866-92-2, 6-bromo-2-methylisoquinolin-1-one, 6-BROMO-2-METHYL-2H-ISOQUINOLIN-1-ONE, 1(2H)-Isoquinolinone, 6-bromo-2-methyl-, 6-bromo-2-methyl-1,2-dihydroisoquinolin-1-one, SCHEMBL582859, CTK8B6081, KS-00000HDP, DTXSID20631092, XWALISSRSGMCSU-UHFFFAOYSA-N, 6-bromo-2-methylisoquinoline-1-one, ANW-52478, MFCD11858430, ZINC39121565, AKOS015919904, FS-2970, QC-9386, RP28316, AJ-98588, AK-30500, BR-30500, AB0027092, DB-076664, TR-026941, 4CH-007920, AM20120483, FT-0647298, ST24029653, W8885, S-6705, J-518337, C10H8BrNO, 1 -Isoquinolinone,6-bromo-2-methyl-, 1(2H)-Isoquinolinone, 6-bromo-2-methyl- (9CI),

Complexity	251
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	236.979g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	238.084g/mol
Monoisotopic Mass	236.979g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	20.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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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