Methyl 3-chloro-6-fluorobenzo[b]thiophene-2-carboxylate - CAS 21211-20-1
Catalog: |
BB016691 |
Product Name: |
Methyl 3-chloro-6-fluorobenzo[b]thiophene-2-carboxylate |
CAS: |
21211-20-1 |
Synonyms: |
methyl 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate |
IUPAC Name: | methyl 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate |
Description: | Methyl 3-chloro-6-fluorobenzo[b]thiophene-2-carboxylate (CAS# 21211-20-1) is a useful research chemical. |
Molecular Weight: | 244.67 |
Molecular Formula: | C10H6ClFO2S |
Canonical SMILES: | COC(=O)C1=C(C2=C(S1)C=C(C=C2)F)Cl |
InChI: | InChI=1S/C10H6ClFO2S/c1-14-10(13)9-8(11)6-3-2-5(12)4-7(6)15-9/h2-4H,1H3 |
InChI Key: | GBCJKOYCWCNSAF-UHFFFAOYSA-N |
Boiling Point: | 342.3 °C at 760 mmHg |
Density: | 1.464 g/cm3 |
Appearance: | White solid |
MDL: | MFCD00449849 |
LogP: | 3.48040 |
Publication Number | Title | Priority Date |
AU-2011316975-A1 | Amino-pyrrolidine-azetidine diamides as monoacylglycerol lipase inhibitors | 20101022 |
CA-2815353-A1 | Amino-pyrrolidine-azetidine diamides as monoacylglycerol lipase inhibitors | 20101022 |
EP-2630139-A1 | Amino-pyrrolidine-azetidine diamides as monoacylglycerol lipase inhibitors | 20101022 |
JP-2013540160-A | Amino-pyrrolidine-azetidine diamide as monoacylglycerol lipase inhibitor | 20101022 |
KR-20130140020-A | Amino-pyrrolidine-azetidine diamides as monoacylglycerol lipase inhibitors | 20101022 |
Complexity: | 264 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.9761065 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.9761065 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 54.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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