3'-Iodobiphenyl-3-carboxylic acid - CAS 1215206-40-8
Catalog: |
BB063904 |
Product Name: |
3'-Iodobiphenyl-3-carboxylic acid |
CAS: |
1215206-40-8 |
Synonyms: |
3'-Iodo-[1,1'-biphenyl]-3-carboxylic acid; 3'-IODOBIPHENYL-3-CARBOXYLIC ACID; 3-(3-iodophenyl)benzoic acid; 3/'-Iodobiphenyl-3-carboxylic acid |
IUPAC Name: | 3-(3-iodophenyl)benzoic acid |
Description: | 3'-Iodobiphenyl-3-carboxylic acid |
Molecular Weight: | 324.11 |
Molecular Formula: | C13H9IO2 |
Canonical SMILES: | C1=CC(=CC(=C1)C(=O)O)C2=CC(=CC=C2)I |
InChI: | InChI=1S/C13H9IO2/c14-12-6-2-4-10(8-12)9-3-1-5-11(7-9)13(15)16/h1-8H,(H,15,16) |
InChI Key: | RZGXSEXPBQYOMH-UHFFFAOYSA-N |
Complexity: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 323.96473 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 323.96473 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.8 |
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