4-Bromo-5-methyl-1H-pyrrole-2-carboxylate Ethyl Ester - CAS 25907-29-3
Catalog: |
BB063288 |
Product Name: |
4-Bromo-5-methyl-1H-pyrrole-2-carboxylate Ethyl Ester |
CAS: |
25907-29-3 |
Synonyms: |
ethyl 4-bromo-5-methyl-1H-pyrrole-2-carboxylate; 4-bromo-5-methyl-1H-pyrrole-2-carboxylic acid ethyl ester; 1H-Pyrrole-2-carboxylic acid, 4-bromo-5-methyl-, ethyl ester; Ethyl 4-Bromo-5-methylpyrrole-2-carboxylate |
IUPAC Name: | ethyl 4-bromo-5-methyl-1H-pyrrole-2-carboxylate |
Molecular Weight: | 232.07 |
Molecular Formula: | C8H10NO2Br |
Canonical SMILES: | CCOC(=O)C1=CC(=C(N1)C)Br |
InChI: | InChI=1S/C8H10BrNO2/c1-3-12-8(11)7-4-6(9)5(2)10-7/h4,10H,3H2,1-2H3 |
InChI Key: | YMURTTOTBOWAQV-UHFFFAOYSA-N |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.98949 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.98949 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 42.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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