Methyl 4-Bromo-3-chloropyrrole-2-carboxylate - CAS 1629633-72-2
Catalog: |
BB011927 |
Product Name: |
Methyl 4-Bromo-3-chloropyrrole-2-carboxylate |
CAS: |
1629633-72-2 |
Synonyms: |
4-bromo-3-chloro-1H-pyrrole-2-carboxylic acid methyl ester; methyl 4-bromo-3-chloro-1H-pyrrole-2-carboxylate |
IUPAC Name: | methyl 4-bromo-3-chloro-1H-pyrrole-2-carboxylate |
Description: | Methyl 4-Bromo-3-chloropyrrole-2-carboxylate (CAS# 1629633-72-2 ) is a useful research chemical. |
Molecular Weight: | 238.47 |
Molecular Formula: | C6H5BrClNO2 |
Canonical SMILES: | COC(=O)C1=C(C(=CN1)Br)Cl |
InChI: | InChI=1S/C6H5BrClNO2/c1-11-6(10)5-4(8)3(7)2-9-5/h2,9H,1H3 |
InChI Key: | LJDZNDKWKFGVKH-UHFFFAOYSA-N |
LogP: | 2.21720 |
Publication Number | Title | Priority Date |
WO-2020244637-A1 | Tricyclic compounds and their use | 20190606 |
WO-2020245297-A1 | Pyrrole derivatives as acc inhibitors | 20190606 |
WO-2014154723-A1 | Novel pyrrole derivatives for the treatment of cancer | 20130329 |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.91922 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.91922 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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