2,5-dimethyl 3-bromo-1H-pyrrole-2,5-dicarboxylate - CAS 2121448-41-5
Catalog: |
BB016696 |
Product Name: |
2,5-dimethyl 3-bromo-1H-pyrrole-2,5-dicarboxylate |
CAS: |
2121448-41-5 |
Synonyms: |
3-bromo-1H-pyrrole-2,5-dicarboxylic acid dimethyl ester; dimethyl 3-bromo-1H-pyrrole-2,5-dicarboxylate |
IUPAC Name: | dimethyl 3-bromo-1H-pyrrole-2,5-dicarboxylate |
Description: | 2,5-dimethyl 3-bromo-1H-pyrrole-2,5-dicarboxylate (CAS# 2121448-41-5 ) is a useful research chemical. |
Molecular Weight: | 262.059 |
Molecular Formula: | C8H8BrNO4 |
Canonical SMILES: | COC(=O)C1=CC(=C(N1)C(=O)OC)Br |
InChI: | InChI=1S/C8H8BrNO4/c1-13-7(11)5-3-4(9)6(10-5)8(12)14-2/h3,10H,1-2H3 |
InChI Key: | WRSDFYUJGCOWCW-UHFFFAOYSA-N |
Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 260.96367 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 260.96367 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 68.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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