Methyl 3-fluoro-5-(4-nitrophenyl)benzoate - CAS 1352318-67-2
Catalog: |
BB059674 |
Product Name: |
Methyl 3-fluoro-5-(4-nitrophenyl)benzoate |
CAS: |
1352318-67-2 |
Synonyms: |
Methyl 3-fluoro-5-(4-nitrophenyl)benzoate; Methyl 5-fluoro-4'-nitro-[1,1'-biphenyl]-3-carboxylate; Methyl5-fluoro-4'-nitro-[1,1'-biphenyl]-3-carboxylate |
IUPAC Name: | methyl 3-fluoro-5-(4-nitrophenyl)benzoate |
Description: | Methyl 3-fluoro-5-(4-nitrophenyl)benzoate |
Molecular Weight: | 275.23 |
Molecular Formula: | C14H10FNO4 |
Canonical SMILES: | COC(=O)C1=CC(=CC(=C1)C2=CC=C(C=C2)[N+](=O)[O-])F |
InChI: | InChI=1S/C14H10FNO4/c1-20-14(17)11-6-10(7-12(15)8-11)9-2-4-13(5-3-9)16(18)19/h2-8H,1H3 |
InChI Key: | ISEQOKFPRSUJQL-UHFFFAOYSA-N |
Complexity: | 363 |
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: | 3 |
Topological Polar Surface Area: | 72.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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