4-Fluorophenyl 2-nitrobenzoate - CAS 62433-22-1
Catalog: |
BB064735 |
Product Name: |
4-Fluorophenyl 2-nitrobenzoate |
CAS: |
62433-22-1 |
Synonyms: |
4-FLUOROPHENYL 2-NITROBENZOATE; (4-fluorophenyl) 2-nitrobenzoate; 4-FLUOROPHENYL2-NITROBENZOATE |
IUPAC Name: | (4-fluorophenyl) 2-nitrobenzoate |
Description: | 4-Fluorophenyl 2-nitrobenzoate |
Molecular Weight: | 279.22 |
Molecular Formula: | C13H10FNO5 |
Canonical SMILES: | C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)F)[N+](=O)[O-] |
InChI: | InChI=1S/C13H8FNO4/c14-9-5-7-10(8-6-9)19-13(16)11-3-1-2-4-12(11)15(17)18/h1-8H |
InChI Key: | DKJRDVHPCGUKAS-UHFFFAOYSA-N |
Complexity: | 336 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.0437359 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.0437359 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 72.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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