AG001EXV

147497-32-3 | 1(2H)-Isoquinolinone, 6-bromo-3,4-dihydro-

AG001EXV

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CAS Number	147497-32-3
Catalog Number	AG001EXV(AGN-PC-03GVOH)
Chemical Name	1(2H)-Isoquinolinone, 6-bromo-3,4-dihydro-
IUPAC Name	6-bromo-3,4-dihydro-2H-isoquinolin-1-one
InChI	InChI=1S/C9H8BrNO/c10-7-1-2-8-6(5-7)3-4-11-9(8)12/h1-2,5H,3-4H2,(H,11,12)
InChI Key	FQPKKECSRKYXIZ-UHFFFAOYSA-N
MDL Number	MFCD04114858
Molecular Formula	C9H8BrNO
Molecular Weight	226.0699
SMILES	O=C1NCCc2cc(ccc12)Br
Synonyms	147497-32-3, 6-Bromo-3,4-dihydro-2H-isoquinolin-1-one, 6-bromo-3,4-dihydroisoquinolin-1(2H)-one, 6-Bromo-3,4-dihydro-1(2H)-isoquinolinone, 6-bromo-1,2,3,4-tetrahydroisoquinolin-1-one, 1(2H)-ISOQUINOLINONE, 6-BROMO-3,4-DIHYDRO-, MFCD04114858, ACMC-209cyl, KSC525I3D, SCHEMBL581700, CTK4C5431, DTXSID10619066, FQPKKECSRKYXIZ-UHFFFAOYSA-N, CS-D0456, ANW-21067, ZINC40434600, AKOS015900182, AN-4019, CB-2654, FS-2432, PB27642, RP05387, RTX-010862, TRA0071500, AK-29878, BC682186, BR-29878, CJ-20069, SC-48221, SY025396, 6-Bromo-1-hydroxy-3,4-dihydroisoquinoline, AB0022365, AB1010388, AJ-101918, DB-007133, ST2412219, 4CH-012787, AM20030004, BB 0260948, FT-0081216, FT-0649462, TL80090725, W3213, 1(2H)-Isoquinolinone,6-bromo-3,4-dihydro-, MFCD04114858 (98%), 1,2,3,4-Tetrahydro-6-bromoisoquinoline-1-one, 6-bromanyl-3,4-dihydro-2H-isoquinolin-1-one, A-2579, 497B323, A808652, 6-BROMO-3,4-DIHYDRO-1(1H)-ISOQUINOLINONE, W-205660, I14-10505, 6-BROMO-1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE, 6-BROMO-1, 2,3,4-TETRAHYDRO ISOQUINOLINO-1-ONE, 6-Bromo-3,4-dihydro-1(1H)-isoquinolinone;6-Bromo-3,4-dihydroisoquinolin-1(2H)-one;6-Bromo-3,4-dihydroisoquinolin-1-one;6-Bromo-3,4-dihydro-2H-isoquinolin-1-one;, C9H8BrNO, ACN-043939, C2306, 6-bromo-3,4-dihydroisoquinolin-1(2H)-one, 95% - 1G 1g,

Complexity	195
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.979g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	226.073g/mol
Monoisotopic Mass	224.979g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	29.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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