Ethyl 2-fluoro-4-(3-nitrophenyl)benzoate - CAS 1365271-87-9
Catalog: |
BB056055 |
Product Name: |
Ethyl 2-fluoro-4-(3-nitrophenyl)benzoate |
CAS: |
1365271-87-9 |
Synonyms: |
Ethyl 2-fluoro-4-(3-nitrophenyl)benzoate; Ethyl2-fluoro-4-(3-nitrophenyl)benzoate; Ethyl 3-fluoro-3'-nitro[1,1'-biphenyl]-4-carboxylate |
IUPAC Name: | ethyl 2-fluoro-4-(3-nitrophenyl)benzoate |
Description: | Ethyl 2-fluoro-4-(3-nitrophenyl)benzoate |
Molecular Weight: | 289.26 |
Molecular Formula: | C15H12FNO4 |
Canonical SMILES: | CCOC(=O)C1=C(C=C(C=C1)C2=CC(=CC=C2)[N+](=O)[O-])F |
InChI: | InChI=1S/C15H12FNO4/c1-2-21-15(18)13-7-6-11(9-14(13)16)10-4-3-5-12(8-10)17(19)20/h3-9H,2H2,1H3 |
InChI Key: | ATHJINAANWODPS-UHFFFAOYSA-N |
Complexity: | 384 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 289.07503603 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 289.07503603 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 72.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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