AG00253B

17702-83-9 | 1H-Isoindole-1,3(2H)-dione, 2-(8-bromooctyl)-

AG00253B

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CAS Number	17702-83-9
Catalog Number	AG00253B(AGN-PC-0JNROG)
Chemical Name	1H-Isoindole-1,3(2H)-dione, 2-(8-bromooctyl)-
IUPAC Name	2-(8-bromooctyl)isoindole-1,3-dione
InChI	InChI=1S/C16H20BrNO2/c17-11-7-3-1-2-4-8-12-18-15(19)13-9-5-6-10-14(13)16(18)20/h5-6,9-10H,1-4,7-8,11-12H2
InChI Key	LAMUQORCSIHVMC-UHFFFAOYSA-N
MDL Number	MFCD00060523
Molecular Formula	C16H20BrNO2
Molecular Weight	338.2395
NSC Number	76815
SMILES	BrCCCCCCCCN1C(=O)C2=C(C=CC=C2)C1=O
Synonyms	17702-83-9, N-(8-Bromooctyl)phthalimide, 2-(8-Bromooctyl)isoindoline-1,3-dione, LAMUQORCSIHVMC-UHFFFAOYSA-N, 2-(8-Bromooctyl)-1H-isoindole-1,3(2H)-dione, 1H-Isoindole-1,3(2H)-dione,2-(8-bromooctyl)-, 2-(8-bromooctyl)isoindole-1,3-dione, 2-(8-bromo-octyl)-isoindole-1,3-dione, AK-63991, NSC76815, AC1L5ONB, NCIOpen2_008514, SCHEMBL876407, AC1Q6K22, CTK4D6397, KS-00000NNT, DTXSID90291627, ZINC1708112, ZX-AT010496, 9294AA, ANW-55474, MFCD00060523, NSC-76815, OR3069, AKOS015836193, FCH3680392, MCULE-4425319317, VZ32963, ACM17702839, 2-(8-Bromo-octyl)isoindole-1,3-dione, AJ-30710, CC-31622, CJ-28942, DS-15323, AX8008787, DB-044286, TR-031458, FT-0637593, ST51041839, 2-(8-bromooctyl)benzo[c]azolidine-1,3-dione, C-5522, C-20264, 1H-Isoindole-1,3(2H)-dione, 2-(8-bromooctyl)-, 2-(8-Bromooctyl)-1H-isoindole-1,3(2H)-dione #, I14-26357, 2-(8-bromooctyl)-2,3-dihydro-1H-isoindole-1,3-dione, C16H20BrNO2, AR-1C8298, CID253681, 1779-10-8,

Complexity	321
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	337.068g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	338.245g/mol
Monoisotopic Mass	337.068g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	37.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.8

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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