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Home > Bromides > 1807542-86-4
1807542-86-4 | 4H-Thieno[3,2-b]pyrrole-4,5-dicarboxylic acid, 2-bromo-, 4-(1,1-dimethylethyl) 5-methyl ester
CAS No: 1807542-86-4 Catalog No: AG0022B6 MDL No:
Product Description
Catalog Number:
AG0022B6
Chemical Name:
4H-Thieno[3,2-b]pyrrole-4,5-dicarboxylic acid, 2-bromo-, 4-(1,1-dimethylethyl) 5-methyl ester
CAS Number:
1807542-86-4
Molecular Formula:
C13H14BrNO4S
Molecular Weight:
360.2236
IUPAC Name:
4-O-tert-butyl 5-O-methyl 2-bromothieno[3,2-b]pyrrole-4,5-dicarboxylate
InChI:
InChI=1S/C13H14BrNO4S/c1-13(2,3)19-12(17)15-7-6-10(14)20-9(7)5-8(15)11(16)18-4/h5-6H,1-4H3
InChI Key:
YHXVUFUIMVLHOK-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c(n1C(=O)OC(C)(C)C)cc(s2)Br
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.983g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.222g/mol
Monoisotopic Mass:
358.983g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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