4-Fluoro-5'-nitrobiphenyl-3,3'-dicarboxylic acid - CAS 1373232-53-1
Catalog: |
BB065073 |
Product Name: |
4-Fluoro-5'-nitrobiphenyl-3,3'-dicarboxylic acid |
CAS: |
1373232-53-1 |
Synonyms: |
4-Fluoro-5'-nitrobiphenyl-3,3'-dicarboxylic acid; 5-(3-carboxy-5-nitrophenyl)-2-fluorobenzoic acid; 4-Fluoro-5/'-nitrobiphenyl-3,3/'-dicarboxylic acid |
IUPAC Name: | 5-(3-carboxy-5-nitrophenyl)-2-fluorobenzoic acid |
Description: | 4-Fluoro-5'-nitrobiphenyl-3,3'-dicarboxylic acid |
Molecular Weight: | 305.22 |
Molecular Formula: | C14H8FNO6 |
Canonical SMILES: | C1=CC(=C(C=C1C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)O)C(=O)O)F |
InChI: | InChI=1S/C14H8FNO6/c15-12-2-1-7(6-11(12)14(19)20)8-3-9(13(17)18)5-10(4-8)16(21)22/h1-6H,(H,17,18)(H,19,20) |
InChI Key: | CKJZZCYBUBGGBB-UHFFFAOYSA-N |
Complexity: | 465 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 305.03356514 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 305.03356514 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 120Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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