Ethyl 4-(1-Pyrrolyl)benzoate - CAS 5044-37-1
Catalog: |
BB027060 |
Product Name: |
Ethyl 4-(1-Pyrrolyl)benzoate |
CAS: |
5044-37-1 |
Synonyms: |
4-(1-pyrrolyl)benzoic acid ethyl ester; ethyl 4-pyrrol-1-ylbenzoate |
IUPAC Name: | ethyl 4-pyrrol-1-ylbenzoate |
Description: | Ethyl 4-(1-Pyrrolyl)benzoate (CAS# 5044-37-1) is a useful research chemical. |
Molecular Weight: | 215.25 |
Molecular Formula: | C13H13NO2 |
Canonical SMILES: | CCOC(=O)C1=CC=C(C=C1)N2C=CC=C2 |
InChI: | InChI=1S/C13H13NO2/c1-2-16-13(15)11-5-7-12(8-6-11)14-9-3-4-10-14/h3-10H,2H2,1H3 |
InChI Key: | FOELSWUYONNGSV-UHFFFAOYSA-N |
Boiling Point: | 122 °C |
Density: | 1.08 g/cm3 |
Appearance: | White solid |
MDL: | MFCD01313323 |
LogP: | 2.65400 |
Publication Number | Title | Priority Date |
EP-3256218-A1 | Kdm1a inhibitors for the treatment of disease | 20150212 |
JP-2018508478-A | KDM1A inhibitors for the treatment of diseases | 20150212 |
US-10519118-B2 | KDM1A inhibitors for the treatment of disease | 20150212 |
US-2016237043-A1 | Kdm1a inhibitors for the treatment of disease | 20150212 |
US-2018312474-A1 | Kdm1a inhibitors for the treatment of disease | 20150212 |
Complexity: | 228 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.094628657 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.094628657 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 31.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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