| CAS Number | 220526-76-1 |
| Catalog Number | AG00BNOL(AGN-PC-0N6OIQ) |
| Chemical Name | (5-Chloro-1-benzofuran-2-yl)(4-methoxyphenyl)methanone |
| IUPAC Name | (5-chloro-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone |
| InChI | InChI=1S/C16H11ClO3/c1-19-13-5-2-10(3-6-13)16(18)15-9-11-8-12(17)4-7-14(11)20-15/h2-9H,1H3 |
| InChI Key | AACRMSQFZNENME-UHFFFAOYSA-N |
| MDL Number | MFCD12922712 |
| Molecular Formula | C16H11ClO3 |
| Molecular Weight | 286.7097 |
| SMILES | O=C(C1=CC2=CC(Cl)=CC=C2O1)C3=CC=C(OC)C=C3 |
| Synonyms | 220526-76-1,
(5-Chlorobenzofuran-2-yl)(4-methoxyphenyl)methanone,
(5-chloro-1-benzofuran-2-yl)(4-methoxyphenyl)methanone,
(5-Chloro-1-benzofuran-2-yl)(4-methoxyphenyl)-methanone,
5-chloro-2-(4-methoxybenzoyl)-1-benzofuran,
CTK7A1822,
MFCD12922712,
ZINC11163722,
AKOS005073395,
chlorobenzofuranylmethoxyphenylmethanone,
KD-0736,
MCULE-4140541688,
RP15672,
KS-00000O93,
2-(4-Methoxybenzoyl)-5-chlorobenzofuran,
AJ-59745,
AK-71175,
TR-065601,
(5-chloro-1-benzo[b]furan-2-yl)(4-methoxyphenyl)methanone,
CID10565173,
(5-chlorobenzofuran-2-yl)-(4-methoxyphenyl)methanone,
|
| Complexity | 352 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.711g/mol |
| Monoisotopic Mass | 286.04g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number