AG00393W

1000623-95-9 | 3,6-Bis(5-bromo-2-thienyl)-2,5-bis(2-ethylhexyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione

AG00393W

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CAS Number	1000623-95-9
Catalog Number	AG00393W(AGN-PC-0WA7U9)
Chemical Name	3,6-Bis(5-bromo-2-thienyl)-2,5-bis(2-ethylhexyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione
IUPAC Name	1,4-bis(5-bromothiophen-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-3,6-dione
InChI	InChI=1S/C30H38Br2N2O2S2/c1-5-9-11-19(7-3)17-33-27(21-13-15-23(31)37-21)25-26(29(33)35)28(22-14-16-24(32)38-22)34(30(25)36)18-20(8-4)12-10-6-2/h13-16,19-20H,5-12,17-18H2,1-4H3
InChI Key	JVVGLKKTAZYUQU-UHFFFAOYSA-N
MDL Number	MFCD16619382
Molecular Formula	C30H38Br2N2O2S2
Molecular Weight	682.5729
SMILES	BrC1=CC=C(S1)C=1N(C(C2=C(N(C(C21)=O)CC(CCCC)CC)C=2SC(=CC2)Br)=O)CC(CCCC)CC
Synonyms	1000623-95-9, 3,6-Bis(5-bromothiophen-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione, 3,6-Bis(5-bromo-2-thienyl)-2,5-bis(2-ethylhexyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione, AK123238, 3,6-bis(5-bromothiophen-2-yl)-2,5-bis(2-ethylhexyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione, SCHEMBL793158, DTXSID60702098, JVVGLKKTAZYUQU-UHFFFAOYSA-N, 0080AA, MFCD16619382, AKOS016011812, DS-6909, LS40818, AN-26034, SC-28654, AX8247416, ST24041269, 623B959, 3,6-bis(5-bromothiophen-2-yl)-2,5-bis(2-ethylhexyl, 1,4-bis(5-bromo-2-thienyl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-3,6-dione, 1,4-bis(5-bromothiophen-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-3,6-dione, 2,5-Bis(2-ethylhexyl)-3,6-bis(5-bromo-2-thienyl)pyrrolo[3,4-c]pyrrole-1,4-dione, (3,6-Bis(5-bromo-2-thienyl)-2,5-bis(2-ethylhexyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione ), 3,6-bis(5-bromothiophen-2-yl)-2,5-bis(2-ethylhexyl) pyrrolo[3,4-c]pyrrole-1,4(2h,5h)-dione, 3,6-Bis(5-bromothiophen-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c ]pyrrole-1,4(2H ,5H )-dione, stilbostemin N, C30H38Br2N2O2S2, 1000676-45-8, 3,6-bis(5-bromo-2-thienyl)-2,5-bis(2-ethylhexyl)-2,5-dihydro-Pyrrolo[3,4-c]pyrrole-1,4-dione,

Complexity	865
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	682.072g/mol
Formal Charge	0
Heavy Atom Count	38
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	682.574g/mol
Monoisotopic Mass	680.074g/mol
Rotatable Bond Count	14
Topological Polar Surface Area	97.1A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	9.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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