| CAS Number | 447398-67-6 |
| Catalog Number | AG018FOB(AGN-PC-0WBQ5T) |
| Chemical Name | N-(4-(Chloromethyl)-2-oxo-2H-chromen-7-yl)acetamide |
| IUPAC Name | N-[4-(chloromethyl)-2-oxochromen-7-yl]acetamide |
| InChI | InChI=1S/C12H10ClNO3/c1-7(15)14-9-2-3-10-8(6-13)4-12(16)17-11(10)5-9/h2-5H,6H2,1H3,(H,14,15) |
| InChI Key | MKZQSJKIOFTYIB-UHFFFAOYSA-N |
| MDL Number | MFCD04610166 |
| Molecular Formula | C12H10ClNO3 |
| Molecular Weight | 251.6657 |
| SMILES | CC(NC1=CC2=C(C(=CC(O2)=O)CCl)C=C1)=O |
| Synonyms | 447398-67-6,
N-[4-(chloromethyl)-2-oxo-2H-chromen-7-yl]acetamide,
N-[4-(chloromethyl)-2-oxochromen-7-yl]acetamide,
N-(4-Chloromethyl-2-oxo-2H-chromen-7-yl)-acetamide,
N-(4-(chloromethyl)-2-oxo-2H-chromen-7-yl)acetamide,
AC1M6M9T,
AC1Q1L09,
CTK6H6470,
DTXSID00368713,
ZINC3334972,
STL034750,
AKOS000117122,
MCULE-4983263641,
N-acetyl-7-amino-4-chloromethylcoumarin,
ST50795759,
EN300-06533,
L-4611,
F2124-0647,
4-(Chloromethyl)-7-(acetylamino)-2H-1-benzopyran-2-one,
ZINC03334972,
CID2451159,
|
| Complexity | 367 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.666g/mol |
| Monoisotopic Mass | 251.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number