Benzyl 2-fluoro-6-nitrobenzoate - CAS 1820604-19-0
Catalog: |
BB061654 |
Product Name: |
Benzyl 2-fluoro-6-nitrobenzoate |
CAS: |
1820604-19-0 |
Synonyms: |
Benzyl 2-fluoro-6-nitrobenzoate; Benzyl2-fluoro-6-nitrobenzoate |
IUPAC Name: | benzyl 2-fluoro-6-nitrobenzoate |
Description: | Benzyl 2-fluoro-6-nitrobenzoate |
Molecular Weight: | 275.23 |
Molecular Formula: | C14H10FNO4 |
Canonical SMILES: | C1=CC=C(C=C1)COC(=O)C2=C(C=CC=C2F)[N+](=O)[O-] |
InChI: | InChI=1S/C14H10FNO4/c15-11-7-4-8-12(16(18)19)13(11)14(17)20-9-10-5-2-1-3-6-10/h1-8H,9H2 |
InChI Key: | TXLRWJUKZQXBCD-UHFFFAOYSA-N |
Complexity: | 352 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 275.05938596 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 275.05938596 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 72.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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