| CAS Number | 1208402-13-4 |
| Catalog Number | AG019XQZ |
| Chemical Name | 6-Chloro-3-phenyl-1-benzofuran-2-carboxylic acid |
| IUPAC Name | 6-chloro-3-phenyl-1-benzofuran-2-carboxylic acid |
| InChI | InChI=1S/C15H9ClO3/c16-10-6-7-11-12(8-10)19-14(15(17)18)13(11)9-4-2-1-3-5-9/h1-8H,(H,17,18) |
| InChI Key | PJKPYMBVXIXFSZ-UHFFFAOYSA-N |
| MDL Number | MFCD13196283 |
| Molecular Formula | C15H9ClO3 |
| Molecular Weight | 272.6832 |
| SMILES | O=C(C1=C(C2=CC=CC=C2)C3=CC=C(Cl)C=C3O1)O |
| Synonyms | 6-chloro-3-phenyl-1-benzofuran-2-carboxylic acid,
1208402-13-4,
SCHEMBL19665897,
CTK6H2163,
ZINC38342465,
AKOS033583619,
MCULE-4604707279,
NE57843,
EN300-55815,
Z1766489132,
AC1Q726F,
|
| Complexity | 340 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.024022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.68g/mol |
| Monoisotopic Mass | 272.024022g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number