| CAS Number | 878259-34-8 |
| Catalog Number | AG019PL5 |
| Chemical Name | 1'-(2-chloroacetyl)-3',4'-dihydro-1'H-spiro[cyclopentane-1,2'-quinoxaline]-3'-one |
| IUPAC Name | 4-(2-chloroacetyl)spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one |
| InChI | InChI=1S/C14H15ClN2O2/c15-9-12(18)17-11-6-2-1-5-10(11)16-13(19)14(17)7-3-4-8-14/h1-2,5-6H,3-4,7-9H2,(H,16,19) |
| InChI Key | BTIMCYNWXHLWGI-UHFFFAOYSA-N |
| MDL Number | MFCD08246120 |
| Molecular Formula | C14H15ClN2O2 |
| Molecular Weight | 278.7341 |
| SMILES | ClCC(N1C2(CCCC2)C(=O)NC2=C1C=CC=C2)=O |
| Synonyms | 1'-(2-chloroacetyl)-3',4'-dihydro-1'H-spiro[cyclopentane-1,2'-quinoxaline]-3'-one,
878259-34-8,
1'-(chloroacetyl)-1',4'-dihydro-3'H-spiro[cyclopentane-1,2'-quinoxalin]-3'-one,
AC1PNDBA,
AC1Q3TDP,
CTK6H4956,
ZINC8074994,
AKOS009089355,
MCULE-4898260998,
NE27466,
EN300-24174,
Z190662858,
4-(2-chloroacetyl)spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one,
ZINC08074994,
CID9207780,
|
| Complexity | 393 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.736g/mol |
| Monoisotopic Mass | 278.082g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number