| CAS Number | 929973-94-4 |
| Catalog Number | AG019PIK |
| Chemical Name | 2-chloro-1-(6-nitro-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one |
| IUPAC Name | 2-chloro-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone |
| InChI | InChI=1S/C11H11ClN2O3/c12-7-11(15)13-5-1-2-8-6-9(14(16)17)3-4-10(8)13/h3-4,6H,1-2,5,7H2 |
| InChI Key | NVQFDNIBMSEAIY-UHFFFAOYSA-N |
| MDL Number | MFCD08729202 |
| Molecular Formula | C11H11ClN2O3 |
| Molecular Weight | 254.6696 |
| SMILES | [O-][N+](C1=CC2=C(N(C(CCl)=O)CCC2)C=C1)=O |
| Synonyms | 2-chloro-1-(6-nitro-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one,
1-(chloroacetyl)-6-nitro-1,2,3,4-tetrahydroquinoline,
UPCMLD0ENAT5750884:001,
929973-94-4,
EN300-23816,
AC1Q1Y4Z,
CTK6H5009,
ZINC12504951,
AKOS022785358,
MCULE-9862283842,
NE62436,
|
| Complexity | 318 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.67g/mol |
| Monoisotopic Mass | 254.046g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number