| CAS Number | 22378-29-6 |
| Catalog Number | AG00BQ4D(AGN-PC-038MJ4) |
| Chemical Name | 1-Chloro-4-ethoxyphthalazine |
| IUPAC Name | 1-chloro-4-ethoxyphthalazine |
| InChI | InChI=1S/C10H9ClN2O/c1-2-14-10-8-6-4-3-5-7(8)9(11)12-13-10/h3-6H,2H2,1H3 |
| InChI Key | KQLFVZGMRLYYBY-UHFFFAOYSA-N |
| MDL Number | MFCD10698632 |
| Molecular Formula | C10H9ClN2O |
| Molecular Weight | 208.6443 |
| SMILES | CCOC1=C2C(C=CC=C2)=C(Cl)N=N1 |
| Synonyms | 1-chloro-4-ethoxyphthalazine,
22378-29-6,
1-Ethoxy-4-chlorophthalazine,
SCHEMBL6939703,
CTK8H6722,
DTXSID10611409,
KQLFVZGMRLYYBY-UHFFFAOYSA-N,
Phthalazine, 1-chloro-4-ethoxy-,
BBL025674,
STL367868,
ZINC21297106,
AKOS011420386,
MCULE-1728730782,
TL806091,
FT-0729566,
H2560,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.645g/mol |
| Monoisotopic Mass | 208.04g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number