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2,5-Dibromo-3,4-dicarboxythiophene

Catalog Number
ACM190723127-1
CAS Number
190723-12-7
Product Name
2,5-Dibromo-3,4-dicarboxythiophene
Structure
Category
Other MOF Linkers
IUPAC Name
2,5-dibromothiophene-3,4-dicarboxylic acid
Molecular Weight
329.95g/mol
Molecular Formula
C6H2Br2O4S
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
Complexity
223
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
329.80201g/mol
Formal Charge
0
Hazard Statements
3-5workdays
Heavy Atom Count
13
Hydrogen Bond Acceptor Count
5
Hydrogen Bond Donor Count
2
Isotope Atom Count
0
Monoisotopic Mass
327.80405g/mol
Rotatable Bond Count
2
Safety Description
XFF11
Supplemental Hazard Statements
10 g
Topological Polar Surface Area
103Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
WGK Germany
D:80nm
XLogP3
2.7
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