Dimethyl 2-(2-Fluoro-4-nitrophenyl)malonate - CAS 188975-47-5
Catalog: |
BB014576 |
Product Name: |
Dimethyl 2-(2-Fluoro-4-nitrophenyl)malonate |
CAS: |
188975-47-5 |
Synonyms: |
2-(2-fluoro-4-nitrophenyl)propanedioic acid dimethyl ester; dimethyl 2-(2-fluoro-4-nitrophenyl)propanedioate |
IUPAC Name: | dimethyl 2-(2-fluoro-4-nitrophenyl)propanedioate |
Description: | Dimethyl 2-(2-Fluoro-4-nitrophenyl)malonate (CAS# 188975-47-5 ) is a useful research chemical. |
Molecular Weight: | 271.20 |
Molecular Formula: | C11H10FNO6 |
Canonical SMILES: | COC(=O)C(C1=C(C=C(C=C1)[N+](=O)[O-])F)C(=O)OC |
InChI: | InChI=1S/C11H10FNO6/c1-18-10(14)9(11(15)19-2)7-4-3-6(13(16)17)5-8(7)12/h3-5,9H,1-2H3 |
InChI Key: | MZYCNIFZHNVGKA-UHFFFAOYSA-N |
LogP: | 1.68670 |
Publication Number | Title | Priority Date |
AU-2012334065-A1 | Substituted pyrazolyl-based carboxamide and urea derivatives bearing a phenyl moiety substituted with an O-containing group as vanilloid receptor ligands | 20111109 |
AU-2012334065-B2 | Substituted pyrazolyl-based carboxamide and urea derivatives bearing a phenyl moiety substituted with an O-containing group as vanilloid receptor ligands | 20111109 |
CA-2854932-A1 | Substituted pyrazolyl-based carboxamide and urea derivatives bearing a phenyl moiety substituted with an o-containing group as vanilloid receptor ligands | 20111109 |
EP-2776398-A1 | Substituted pyrazolyl-based carboxamide and urea derivatives bearing a phenyl moiety substituted with an o-containing group as vanilloid receptor ligands | 20111109 |
MX-2014005610-A | CARBOXAMIDE AND UREA DERIVATIVES, BASED ON REPLACED PIRAZOLIL, THAT PRESENT A REPLACED FENILE PORTION WITH A GROUP THAT CONTAINS OR AS BINDING WITH A VAINILLOID RECEIVER. | 20111109 |
Complexity: | 353 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 271.0492152 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 271.0492152 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 98.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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