Methyl 5-Bromothiophene-3-carboxylate - CAS 88770-19-8
Catalog: |
BB039195 |
Product Name: |
Methyl 5-Bromothiophene-3-carboxylate |
CAS: |
88770-19-8 |
Synonyms: |
5-bromo-3-thiophenecarboxylic acid methyl ester; methyl 5-bromothiophene-3-carboxylate |
IUPAC Name: | methyl 5-bromothiophene-3-carboxylate |
Description: | Methyl 5-Bromothiophene-3-carboxylate (CAS# 88770-19-8) is a useful research chemical. |
Molecular Weight: | 221.07 |
Molecular Formula: | C6H5BrO2S |
Canonical SMILES: | COC(=O)C1=CSC(=C1)Br |
InChI: | InChI=1S/C6H5BrO2S/c1-9-6(8)4-2-5(7)10-3-4/h2-3H,1H3 |
InChI Key: | VFWZOBQPAHYSDL-UHFFFAOYSA-N |
Appearance: | Solid |
LogP: | 2.29720 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113072546-A | Five-membered heteroaromatic derivative and preparation method and application thereof | 20200106 |
CN-112480116-A | PKB inhibitors | 20190911 |
WO-2018177993-A1 | Pyrazoles for controlling arthropods | 20170331 |
CN-110312711-A | Heterocyclic compound and its application method as RAS inhibitor | 20161007 |
CA-2813743-A1 | Selective proton coupled folate transporter and folate receptor, and garftase and/or other folate metabolizing enzymes inhibitor compounds and methods of using the same | 20101012 |
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: | 54.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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