| CAS Number | 1221726-28-8 |
| Catalog Number | AG01A7MY(AGN-PC-0WO7DX) |
| Chemical Name | 2-chloro-1-(1,3-dihydro-2-benzofuran-5-yl)ethan-1-one |
| IUPAC Name | 2-chloro-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone |
| InChI | InChI=1S/C10H9ClO2/c11-4-10(12)7-1-2-8-5-13-6-9(8)3-7/h1-3H,4-6H2 |
| InChI Key | RNJNKVQHQANMQH-UHFFFAOYSA-N |
| MDL Number | MFCD14705736 |
| Molecular Formula | C10H9ClO2 |
| Molecular Weight | 196.6303 |
| SMILES | ClCC(C1=CC2=C(COC2)C=C1)=O |
| Synonyms | 2-chloro-1-(1,3-dihydro-2-benzofuran-5-yl)ethan-1-one,
1221726-28-8,
AC1Q3T9Y,
CTK6H4739,
ZINC39947588,
AKOS011074502,
NE57485,
EN300-59199,
Z2492395572,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.63g/mol |
| Monoisotopic Mass | 196.029g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number