AG000NP1

1254319-51-1 | 6-Bromo-2-methylisoindolin-1-one

AG000NP1

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CAS Number	1254319-51-1
Catalog Number	AG000NP1(AGN-PC-0WAJ3H)
Chemical Name	6-Bromo-2-methylisoindolin-1-one
IUPAC Name	6-bromo-2-methyl-3H-isoindol-1-one
InChI	InChI=1S/C9H8BrNO/c1-11-5-6-2-3-7(10)4-8(6)9(11)12/h2-4H,5H2,1H3
InChI Key	DPUVAXLWVRZASN-UHFFFAOYSA-N
MDL Number	MFCD17676936
Molecular Formula	C9H8BrNO
Molecular Weight	226.0699
SMILES	BrC1=CC=C2CN(C(C2=C1)=O)C
Synonyms	6-Bromo-2-methylisoindolin-1-one, 1254319-51-1, 1H-Isoindol-1-one, 6-broMo-2,3-dihydro-2-Methyl-, AK145288, 6-Bromo-2-methyl-2,3-dihydro-isoindol-1-one, SCHEMBL290015, DPUVAXLWVRZASN-UHFFFAOYSA-N, 2-Methyl-6-bromoisoindoline-1-one, BCP17655, KS-00000S2U, ZX-RL006459, MFCD17676936, ZINC66347186, 6-bromo-2-methyl-3H-isoindol-1-one, AKOS015898902, CS-W022456, DS-8083, FCH1362190, MCULE-9658084370, OR306541, AJ-116368, AX8283361, ST2401924, 4CH-019718, 6-bromo-2-methyl-2,3-dihydro-1H-isoindol-1-one, 1H-Isoindol-1-one,6-bromo-2,3-dihydro-2-Methyl-, I14-12633,

Complexity	207
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	0
Isotope Atom Count	0
Molecular Weight	226.073g/mol
Monoisotopic Mass	224.979g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	20.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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

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