Methyl 3-Chloropyrrole-2-carboxylate - CAS 226410-00-0
Catalog: |
BB017696 |
Product Name: |
Methyl 3-Chloropyrrole-2-carboxylate |
CAS: |
226410-00-0 |
Synonyms: |
3-chloro-1H-pyrrole-2-carboxylic acid methyl ester; methyl 3-chloro-1H-pyrrole-2-carboxylate |
IUPAC Name: | methyl 3-chloro-1H-pyrrole-2-carboxylate |
Description: | Methyl 3-Chloropyrrole-2-carboxylate (CAS# 226410-00-0) is a useful research chemical. |
Molecular Weight: | 159.57 |
Molecular Formula: | C6H6ClNO2 |
Canonical SMILES: | COC(=O)C1=C(C=CN1)Cl |
InChI: | InChI=1S/C6H6ClNO2/c1-10-6(9)5-4(7)2-3-8-5/h2-3,8H,1H3 |
InChI Key: | YFKTWBUEAJFGRQ-UHFFFAOYSA-N |
Appearance: | Pale yellow powder |
MDL: | MFCD20661619 |
LogP: | 1.45470 |
Publication Number | Title | Priority Date |
CN-111170921-A | Synthetic method of 3-chloropyrrole-2-methyl formate | 20200226 |
WO-2020244637-A1 | Tricyclic compounds and their use | 20190606 |
WO-2020245297-A1 | Pyrrole derivatives as acc inhibitors | 20190606 |
WO-2019154343-A1 | Capsid protein assembly inhibitor, and pharmaceutical composition and use thereof | 20180209 |
CN-111601788-A | Capsid protein assembly inhibitor, pharmaceutical composition and use thereof | 20180209 |
Complexity: | 140 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 159.0087061 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 159.0087061 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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