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190723-12-7 | 3,4-Thiophenedicarboxylic acid, 2,5-dibromo-
CAS No: 190723-12-7 Catalog No: AG002EQV MDL No:MFCD08695787
Product Description
Catalog Number:
AG002EQV
Chemical Name:
3,4-Thiophenedicarboxylic acid, 2,5-dibromo-
CAS Number:
190723-12-7
Molecular Formula:
C6H2Br2O4S
Molecular Weight:
329.9507
MDL Number:
MFCD08695787
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
SMILES:
OC(=O)c1c(Br)sc(c1C(=O)O)Br
Properties
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
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