Methyl 2-bromothiophene-3-carboxylate - CAS 76360-43-5
Catalog: |
BB059848 |
Product Name: |
Methyl 2-bromothiophene-3-carboxylate |
CAS: |
76360-43-5 |
Synonyms: |
Methyl 2-bromothiophene-3-carboxylate; 2-Bromo-thiophene-3-carboxylic acid methyl ester; 2-bromothiophene-3-carboxylic acid methyl ester; Methyl-2-bromothiophene-3-carboxylate; 3-Thiophenecarboxylic acid, 2-bromo-, methyl ester; 7-HYDROXY-4-AZAINDOLE |
IUPAC Name: | methyl 2-bromothiophene-3-carboxylate |
Description: | Methyl 2-bromothiophene-3-carboxylate |
Molecular Weight: | 221.07 |
Molecular Formula: | C6H5BrO2S |
Canonical SMILES: | COC(=O)C1=C(SC=C1)Br |
InChI: | InChI=1S/C6H5BrO2S/c1-9-6(8)4-2-3-10-5(4)7/h2-3H,1H3 |
InChI Key: | ADKGOXMEPLSPNN-UHFFFAOYSA-N |
Complexity: | 140 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.91936 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.91936 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 54.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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