| CAS Number | 121004-86-2 |
| Catalog Number | AG01AAYQ |
| Chemical Name | 4-(3,4-dichlorophenyl)-1,2-dihydrophthalazin-1-one |
| IUPAC Name | 4-(3,4-dichlorophenyl)-2H-phthalazin-1-one |
| InChI | InChI=1S/C14H8Cl2N2O/c15-11-6-5-8(7-12(11)16)13-9-3-1-2-4-10(9)14(19)18-17-13/h1-7H,(H,18,19) |
| InChI Key | GKHJJRRZTWDZJO-UHFFFAOYSA-N |
| MDL Number | MFCD12654795 |
| Molecular Formula | C14H8Cl2N2O |
| Molecular Weight | 291.1321 |
| SMILES | ClC1=C(Cl)C=C(C2C3=C(C=CC=C3)C(=O)NN=2)C=C1 |
| Synonyms | 4-(3,4-dichlorophenyl)-1,2-dihydrophthalazin-1-one,
121004-86-2,
AC1Q3HMD,
ZINC36961826,
AKOS009375662,
MCULE-5546547238,
NE32327,
EN300-69950,
Z1245646682,
|
| Complexity | 399 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.131g/mol |
| Monoisotopic Mass | 290.001g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number