| CAS Number | 91059-40-4 |
| Catalog Number | AG00H06D |
| Chemical Name | 3-iodonaphthalene-1-carboxylic acid |
| IUPAC Name | 3-iodonaphthalene-1-carboxylic acid |
| InChI | InChI=1S/C11H7IO2/c12-8-5-7-3-1-2-4-9(7)10(6-8)11(13)14/h1-6H,(H,13,14) |
| InChI Key | KYGGRXQUVAKVFF-UHFFFAOYSA-N |
| MDL Number | MFCD17012426 |
| Molecular Formula | C11H7IO2 |
| Molecular Weight | 298.0765 |
| SMILES | OC(C1=C2C(C=CC=C2)=CC(I)=C1)=O |
| Synonyms | 3-iodonaphthalene-1-carboxylic acid,
91059-40-4,
EN300-89859,
AC1Q72NT,
DTXSID80679152,
ZINC57219188,
FCH1326046,
DB-083873,
FT-0720131,
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| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.949g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.079g/mol |
| Monoisotopic Mass | 297.949g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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