3-(4-Formyl-3-nitrophenyl)benzoic acid - CAS 1403483-54-4
Catalog: |
BB064558 |
Product Name: |
3-(4-Formyl-3-nitrophenyl)benzoic acid |
CAS: |
1403483-54-4 |
Synonyms: |
3-(4-Formyl-3-nitrophenyl)benzoic acid; 3-(4-Formyl-3-nitrophenyl)benzoicacid; [1,1'-Biphenyl]-3-carboxylic acid, 4'-formyl-3'-nitro- |
IUPAC Name: | 3-(4-formyl-3-nitrophenyl)benzoic acid |
Description: | 3-(4-Formyl-3-nitrophenyl)benzoic acid |
Molecular Weight: | 271.22 |
Molecular Formula: | C14H9NO5 |
Canonical SMILES: | C1=CC(=CC(=C1)C(=O)O)C2=CC(=C(C=C2)C=O)[N+](=O)[O-] |
InChI: | InChI=1S/C14H9NO5/c16-8-12-5-4-10(7-13(12)15(19)20)9-2-1-3-11(6-9)14(17)18/h1-8H,(H,17,18) |
InChI Key: | TVAUSLSSORMHJM-UHFFFAOYSA-N |
Complexity: | 392 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 271.04807239 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 271.04807239 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 100Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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