| CAS Number | 867130-83-4 |
| Catalog Number | AG00IE6W(AGN-PC-0WAI6Q) |
| Chemical Name | 4-Amino-6-chloro-2-phenylpyridazin-3(2H)-one |
| IUPAC Name | 4-amino-6-chloro-2-phenylpyridazin-3-one |
| InChI | InChI=1S/C10H8ClN3O/c11-9-6-8(12)10(15)14(13-9)7-4-2-1-3-5-7/h1-6H,12H2 |
| InChI Key | NTWANLJJEPZCRO-UHFFFAOYSA-N |
| MDL Number | MFCD28099463 |
| Molecular Formula | C10H8ClN3O |
| Molecular Weight | 221.6430 |
| SMILES | O=C1C(N)=CC(Cl)=NN1C2=CC=CC=C2 |
| Synonyms | 4-Amino-6-chloro-2-phenylpyridazin-3(2H)-one,
867130-83-4,
AK156214,
KS-00000SEB,
MFCD28099463,
ZINC98181153,
AKOS024261562,
DS-8761,
AJ-142259,
AX8290537,
ST24043237,
4-AMINO-6-CHLORO-2-PHENYLPYRIDAZIN-3-ONE,
|
| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.644g/mol |
| Monoisotopic Mass | 221.036g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H315-H319-H332-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P280-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number