AG00DBTV

51132-00-4 | 2-(4-Bromo-3-oxobutyl)isoindoline-1,3-dione

AG00DBTV

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CAS Number	51132-00-4
Catalog Number	AG00DBTV(AGN-PC-0KZO2A)
Chemical Name	2-(4-Bromo-3-oxobutyl)isoindoline-1,3-dione
IUPAC Name	2-(4-bromo-3-oxobutyl)isoindole-1,3-dione
InChI	InChI=1S/C12H10BrNO3/c13-7-8(15)5-6-14-11(16)9-3-1-2-4-10(9)12(14)17/h1-4H,5-7H2
InChI Key	PTPZBCHKQSHXQZ-UHFFFAOYSA-N
MDL Number	MFCD04124730
Molecular Formula	C12H10BrNO3
Molecular Weight	296.1167
SMILES	BrCC(=O)CCN1C(=O)c2c(C1=O)cccc2
Synonyms	51132-00-4, 1-Bromo-4-N-phthalimido-2-butanone, 2-(4-Bromo-3-oxobutyl)isoindoline-1,3-dione, 2-(4-BROMO-3-OXOBUTYL)-1H-ISOINDOLE-1,3(2H)-DIONE, 2-(4-bromo-3-oxobutyl)isoindole-1,3-dione, 1H-Isoindole-1,3(2H)-dione, 2-(4-bromo-3-oxobutyl)-, 2-(4-bromo-3-oxobutyl)-2,3-dihydro-1H-isoindole-1,3-dione, 2-(4-Bromo-3-oxo-butyl)-isoindole-1,3-dione, 2-(4-bromo-3-oxobutyl)benzo[c]azolidine-1,3-dione, PubChem19075, AC1MX4BW, SCHEMBL133129, CTK1G5375, DTXSID00396036, PTPZBCHKQSHXQZ-UHFFFAOYSA-N, 1-bromo-4-phthalimido-2-butanone, 1-Bromo-4-phthalimidobutan-2-one, ALBB-030388, KS-000033CD, N-(3-Oxo-4-bromobutyl)phthalimide, N-(4-Bromo-3-oxobutyl)phthalimide, ZINC4089302, MFCD04124730, SBB079598, AKOS002364197, MCULE-7672190469, NE18700, RP07504, BC004422, AB1001047, DB-071308, FT-0685643, ST50329599, Y9274, AZ0001-0172, 2-(4-Bromo-3-oxo-butyl)isoindole-1,3-dione, 2-(4-bromo-3-oxobutyl)-1,3-isoindolinedione, 1-Bromo-4-N-phthalimido-2-butanone, AldrichCPR, 1X-0222, 2-(4-Bromo-3-oxo-butyl)-isoindole- 1,3-dione, SR-01000307091, J-504453, SR-01000307091-1, 2-(4-bromo-3-oxobutyl)-1H-isoindol-1,3(2H)-dione, F3284-8017, null, C12H10BrNO3, 2- -1H-isoindole-1,3 -dione, ZINC04089302, ACN-038951, CID3759744, 6284-26-0,

Complexity	332
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	294.984g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	296.12g/mol
Monoisotopic Mass	294.984g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H317-H411
Packing Group	Ⅲ
Precautionary statements	P273-P280
UN Code	UN 3077

Certificate of Analysis

Lot Number