Methyl 5-Chloro-1H-pyrrole-3-carboxylate - CAS 79600-76-3
Catalog: |
BB036380 |
Product Name: |
Methyl 5-Chloro-1H-pyrrole-3-carboxylate |
CAS: |
79600-76-3 |
Synonyms: |
5-chloro-1H-pyrrole-3-carboxylic acid methyl ester; methyl 5-chloro-1H-pyrrole-3-carboxylate |
IUPAC Name: | methyl 5-chloro-1H-pyrrole-3-carboxylate |
Description: | Methyl 5-Chloro-1H-pyrrole-3-carboxylate (CAS# 79600-76-3 ) is a useful research chemical. |
Molecular Weight: | 159.57 |
Molecular Formula: | C6H6ClNO2 |
Canonical SMILES: | COC(=O)C1=CNC(=C1)Cl |
InChI: | InChI=1S/C6H6ClNO2/c1-10-6(9)4-2-5(7)8-3-4/h2-3,8H,1H3 |
InChI Key: | VNOUGGOQRAWHEW-UHFFFAOYSA-N |
LogP: | 1.45470 |
Publication Number | Title | Priority Date |
CA-2916468-A1 | Heteroaryl compounds useful as inhibitors of sumo activating enzyme | 20130702 |
EA-032577-B1 | Heteroaryl compounds useful as inhibitors of sumo activating enzyme | 20130702 |
EP-3016934-A2 | Heteroaryl compounds useful as inhibitors of sumo activating enzyme | 20130702 |
EP-3016934-B1 | Heteroaryl compounds useful as inhibitors of sumo activating enzyme | 20130702 |
JP-2016523925-A | Heteroaryl compounds useful as SUMO activating enzyme inhibitors | 20130702 |
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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