Methyl 3-(4-bromo-thiophen-2-yl)-acrylate - CAS 91150-58-2
Catalog: |
BB059850 |
Product Name: |
Methyl 3-(4-bromo-thiophen-2-yl)-acrylate |
CAS: |
91150-58-2 |
Synonyms: |
Methyl 3-(4-bromo-thiophen-2-yl)-acrylate; Methyl 3-(4-bromothiophen-2-yl)acrylate; METHYL (2E)-3-(4-BROMOTHIOPHEN-2-YL)PROP-2-ENOATE; Methyl3-(4-bromothiophen-2-yl)acrylate |
IUPAC Name: | methyl (E)-3-(4-bromothiophen-2-yl)prop-2-enoate |
Description: | Methyl 3-(4-bromo-thiophen-2-yl)-acrylate |
Molecular Weight: | 247.11 |
Molecular Formula: | C8H7BrO2S |
Canonical SMILES: | COC(=O)C=CC1=CC(=CS1)Br |
InChI: | InChI=1S/C8H7BrO2S/c1-11-8(10)3-2-7-4-6(9)5-12-7/h2-5H,1H3/b3-2+ |
InChI Key: | OPKVLLQCBXEGTN-NSCUHMNNSA-N |
Complexity: | 194 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 245.93501 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.93501 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 54.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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