| CAS Number | 55198-89-5 |
| Catalog Number | AG003IV1(AGN-PC-0NQVEK) |
| Chemical Name | 3-Amino-4-(2-chlorophenyl)-6-nitroquinolin-2(1H)-one |
| IUPAC Name | 3-amino-4-(2-chlorophenyl)-6-nitro-1H-quinolin-2-one |
| InChI | InChI=1S/C15H10ClN3O3/c16-11-4-2-1-3-9(11)13-10-7-8(19(21)22)5-6-12(10)18-15(20)14(13)17/h1-7H,17H2,(H,18,20) |
| InChI Key | GYAWOVGCEQLWHW-UHFFFAOYSA-N |
| MDL Number | MFCD21337816 |
| Molecular Formula | C15H10ClN3O3 |
| Molecular Weight | 315.7112 |
| SMILES | O=C1NC2=C(C=C([N+]([O-])=O)C=C2)C(C3=CC=CC=C3Cl)=C1N |
| Synonyms | 55198-89-5,
3-Amino-4-(2-chlorophenyl)-6-nitroquinolin-2(1H)-one,
3-Amino-4-(2-chlorophenyl)-6-nitro-2(1H)-quinolinone,
DTXSID00653151,
ZINC28048510,
Clonazepam Related Impurity A (USP),
AKOS027269902,
AKOS027447063,
AK230737,
FT-0661689,
3-amino-4-(2-chlorophenyl)-6-nitro-1H-quinolin-2-one,
3-Amino-4-(2-chlorophenyl)-6-nitro-2(1H)-quinolinone(Clonazepam Impurity),
Clonazepam impurity B, European Pharmacopoeia (EP) Reference Standard,
Clonazepam Related Compound A, United States Pharmacopeia (USP) Reference Standard,
1,8-Didemethyl Zolazepam,
3-Amino-4-(2-chlorophenyl)-6-nitroquinolin-2-ol,
55199-54-7,
|
| Complexity | 517 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 315.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 315.713g/mol |
| Monoisotopic Mass | 315.041g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H302-H361-H412
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P281
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number