2-Fluoro-4-(4-formyl-3-nitrophenyl)benzoic acid - CAS 1403483-89-5
Catalog: |
BB065206 |
Product Name: |
2-Fluoro-4-(4-formyl-3-nitrophenyl)benzoic acid |
CAS: |
1403483-89-5 |
Synonyms: |
2-Fluoro-4-(4-formyl-3-nitrophenyl)benzoic acid; 2-Fluoro-4-(4-formyl-3-nitrophenyl)benzoicacid; [1,1'-Biphenyl]-4-carboxylic acid, 3-fluoro-4'-formyl-3'-nitro- |
IUPAC Name: | 2-fluoro-4-(4-formyl-3-nitrophenyl)benzoic acid |
Description: | 2-Fluoro-4-(4-formyl-3-nitrophenyl)benzoic acid |
Molecular Weight: | 289.22 |
Molecular Formula: | C14H8FNO5 |
Canonical SMILES: | C1=CC(=C(C=C1C2=CC(=C(C=C2)C(=O)O)F)[N+](=O)[O-])C=O |
InChI: | InChI=1S/C14H8FNO5/c15-12-5-8(3-4-11(12)14(18)19)9-1-2-10(7-17)13(6-9)16(20)21/h1-7H,(H,18,19) |
InChI Key: | LYTGMRWNWOWLDF-UHFFFAOYSA-N |
Complexity: | 424 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 289.03865052 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 289.03865052 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 100Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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