AG002EQV

190723-12-7 | 3,4-Thiophenedicarboxylic acid, 2,5-dibromo-

AG002EQV

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CAS Number	190723-12-7
Catalog Number	AG002EQV(AGN-PC-013OLA)
Chemical Name	3,4-Thiophenedicarboxylic acid, 2,5-dibromo-
IUPAC Name	2,5-dibromothiophene-3,4-dicarboxylic acid
InChI	InChI=1S/C6H2Br2O4S/c7-3-1(5(9)10)2(6(11)12)4(8)13-3/h(H,9,10)(H,11,12)
InChI Key	ZZYYIZHQMCEKLG-UHFFFAOYSA-N
MDL Number	MFCD08695787
Molecular Formula	C6H2Br2O4S
Molecular Weight	329.9507
SMILES	O=C(C1=C(Br)SC(Br)=C1C(O)=O)O
Synonyms	2,5-Dibromothiophene-3,4-dicarboxylic acid, 190723-12-7, 2,5-Dibromo-3,4-thiophenedicarboxylic acid, AK146800, ACMC-209eu9, C6H2Br2O4S, SCHEMBL1498222, CTK8B1091, DTXSID80586291, BCP28382, ANW-23503, MFCD08695787, ZINC39296317, AKOS000281852, dibromothiophene-3,4-dicarboxylic acid, ACN-031506, FCH2260359, QC-5259, KS-00000S52, AJ-99698, AS-17939, SC-52124, AX8284330, TC-112248, ST24038716, V4037, 2,5-dibromo-thiophene-3,4-dicarboxylic acid, 3,4-Thiophenedicarboxylic acid, 2,5-dibromo-, K-5692,

Complexity	223
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	329.802g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	329.946g/mol
Monoisotopic Mass	327.804g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	103A^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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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