AG003MHR

868066-91-5 | 5-Bromo-2-methylisoindolin-1-one

AG003MHR

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CAS Number	868066-91-5
Catalog Number	AG003MHR(AGN-PC-03ZCV3)
Chemical Name	5-Bromo-2-methylisoindolin-1-one
IUPAC Name	5-bromo-2-methyl-3H-isoindol-1-one
InChI	InChI=1S/C9H8BrNO/c1-11-5-6-4-7(10)2-3-8(6)9(11)12/h2-4H,5H2,1H3
InChI Key	WRFZBWHXIGUNLQ-UHFFFAOYSA-N
MDL Number	MFCD12755780
Molecular Formula	C9H8BrNO
Molecular Weight	226.0699
SMILES	CN1CC2=C(C=CC(Br)=C2)C1=O
Synonyms	5-bromo-2-methylisoindolin-1-one, 868066-91-5, 5-Bromo-2-methyl-2,3-dihydro-1H-isoindol-1-one, 1H-Isoindol-1-one, 5-bromo-2,3-dihydro-2-methyl-, AK-37748, SCHEMBL290250, CTK8C4616, DTXSID60631091, WRFZBWHXIGUNLQ-UHFFFAOYSA-N, 5-bromo-2-methyl-1-isoindolinone, ZX-CM007297, ZX-RL006447, ANW-72476, MFCD12755780, ZINC45328696, AKOS015855549, CB-2755, FCH1376167, FS-3718, MP-0481, RP27641, TRA0072608, KS-00000C90, CJ-20525, OR306525, SY023624, AJ-110425, AX8163834, DB-012245, TX-012668, 4CH-008947, FT-0765235, ST24029377, Z5222, 5-BROMO-2-METHYL-3H-ISOINDOL-1-ONE, 5-Bromo-2-methyl-2,3-dihydro-isoindol-1-one, MFCD12755780 (97+%), 1H-Isoindol-1-one,5-bromo-2,3-dihydro-2-methyl-, J-516977, S10-0049, C9H8BrNO, 1-(Bicyclo[2.2.1]hept-5-en-2-ylmethyl)piperazine dihydrochloride,

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	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number