AG008U3G

1105187-36-7 | Methyl 3-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylate

AG008U3G

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CAS Number	1105187-36-7
Catalog Number	AG008U3G(AGN-PC-0712JS)
Chemical Name	Methyl 3-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylate
IUPAC Name	methyl 3-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylate
InChI	InChI=1S/C8H6BrNO2S/c1-12-8(11)5-2-6-7(10-5)4(9)3-13-6/h2-3,10H,1H3
InChI Key	FZMSYEZKZFUHPQ-UHFFFAOYSA-N
MDL Number	MFCD11973824
Molecular Formula	C8H6BrNO2S
Molecular Weight	260.1077
SMILES	O=C(C1=CC2=C(C(Br)=CS2)N1)OC
Synonyms	Methyl 3-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylate, 1105187-36-7, 3-Bromo-4H-thieno[3,2-b]pyrrole-5-carboxylic acid methyl ester, AK-28411, W-204737, SCHEMBL1847169, CTK6I9547, KS-00000IFT, DTXSID80656847, FZMSYEZKZFUHPQ-UHFFFAOYSA-N, ANW-48506, MFCD11973824, SC2771, ZINC44076501, AKOS015835736, FCH1408692, RP08948, AS-54630, BR-28411, AB0034741, AJ-109148, AX8168575, DB-060000, TC-068358, FT-0685678, ST24031031, X8942, S-6402, J-511929, C8H6BrNO2S, Methyl3-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylate,

Complexity	226
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	258.93g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	260.105g/mol
Monoisotopic Mass	258.93g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	70.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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