Methyl 3-(5-Amino-4-cyano-2-furyl)benzoate - CAS 1261269-02-6
Catalog: |
BB006469 |
Product Name: |
Methyl 3-(5-Amino-4-cyano-2-furyl)benzoate |
CAS: |
1261269-02-6 |
Synonyms: |
3-(5-amino-4-cyano-2-furanyl)benzoic acid methyl ester; methyl 3-(5-amino-4-cyanofuran-2-yl)benzoate |
IUPAC Name: | methyl 3-(5-amino-4-cyanofuran-2-yl)benzoate |
Description: | Methyl 3-(5-Amino-4-cyano-2-furyl)benzoate (CAS# 1261269-02-6 ) is a useful research chemical. |
Molecular Weight: | 242.23 |
Molecular Formula: | C13H10N2O3 |
Canonical SMILES: | COC(=O)C1=CC=CC(=C1)C2=CC(=C(O2)N)C#N |
InChI: | InChI=1S/C13H10N2O3/c1-17-13(16)9-4-2-3-8(5-9)11-6-10(7-14)12(15)18-11/h2-6H,15H2,1H3 |
InChI Key: | JLOOJPKKWKUFCC-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 2.76828 |
Complexity: | 363 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.06914219 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.06914219 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 89.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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