Methyl 3-Bromothiophene-2-carboxylate - CAS 26137-08-6
Catalog: |
BB019147 |
Product Name: |
Methyl 3-Bromothiophene-2-carboxylate |
CAS: |
26137-08-6 |
Synonyms: |
3-bromo-2-thiophenecarboxylic acid methyl ester; methyl 3-bromothiophene-2-carboxylate |
IUPAC Name: | methyl 3-bromothiophene-2-carboxylate |
Description: | Methyl 3-Bromothiophene-2-carboxylate (CAS# 26137-08-6) is a useful research chemical. |
Molecular Weight: | 221.07 |
Molecular Formula: | C6H5BrO2S |
Canonical SMILES: | COC(=O)C1=C(C=CS1)Br |
InChI: | InChI=1S/C6H5BrO2S/c1-9-6(8)5-4(7)2-3-10-5/h2-3H,1H3 |
InChI Key: | PEGSJNCGPSIJOX-UHFFFAOYSA-N |
Boiling Point: | 112 °C / 4 mmHg |
Density: | 1.662 g/cm3 |
MDL: | MFCD00173839 |
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+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110590641-A | Green preparation method of 3-hydroxyisoindole-1-ketone series compounds | 20191009 |
CN-111285874-A | RET inhibitors, pharmaceutical compositions thereof and uses thereof | 20181207 |
WO-2020114494-A1 | Ret inhibitors, pharmaceutical compositions and uses thereof | 20181207 |
EP-3891148-A1 | Ret inhibitors, pharmaceutical compositions and uses thereof | 20181207 |
KR-20210100155-A | RET inhibitors, pharmaceutical compositions and uses thereof | 20181207 |
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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