Diethyl 2-(2-fluoro-4-nitrophenyl)malonate - CAS 318471-58-8
Catalog: |
BB066917 |
Product Name: |
Diethyl 2-(2-fluoro-4-nitrophenyl)malonate |
CAS: |
318471-58-8 |
Synonyms: |
Diethyl 2-(2-fluoro-4-nitrophenyl)malonate; diethyl 2-(2-fluoro-4-nitrophenyl)propanedioate; Diethyl2-(2-fluoro-4-nitrophenyl)malonate; Diethyl (2-fluoro-4-nitrophenyl)propanedioate |
IUPAC Name: | diethyl 2-(2-fluoro-4-nitrophenyl)propanedioate |
Description: | Diethyl 2-(2-fluoro-4-nitrophenyl)malonate |
Molecular Weight: | 299.25 |
Molecular Formula: | C13H14FNO6 |
Canonical SMILES: | CCOC(=O)C(C1=C(C=C(C=C1)[N+](=O)[O-])F)C(=O)OCC |
InChI: | InChI=1S/C13H14FNO6/c1-3-20-12(16)11(13(17)21-4-2)9-6-5-8(15(18)19)7-10(9)14/h5-7,11H,3-4H2,1-2H3 |
InChI Key: | RZYIUPASHFMODF-UHFFFAOYSA-N |
Complexity: | 379 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 299.08051533 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 299.08051533 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 98.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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