| CAS Number | 101900-98-5 |
| Catalog Number | AG0005VS(AGN-PC-00N6BH) |
| Chemical Name | 4-Chloro-2-Methylpyrido[3,4-D]Pyrimidine |
| IUPAC Name | 4-chloro-2-methylpyrido[3,4-d]pyrimidine |
| InChI | InChI=1S/C8H6ClN3/c1-5-11-7-4-10-3-2-6(7)8(9)12-5/h2-4H,1H3 |
| InChI Key | AAEIBEFIEMQBRL-UHFFFAOYSA-N |
| MDL Number | MFCD19690424 |
| Molecular Formula | C8H6ClN3 |
| Molecular Weight | 179.6063 |
| SMILES | CC1=NC(Cl)=C2C(C=NC=C2)=N1 |
| Synonyms | 4-Chloro-2-methylpyrido[3,4-d]pyrimidine,
101900-98-5,
SCHEMBL17898315,
DTXSID30544427,
ZINC91301683,
FCH1193530,
AJ-129819,
AX8248850,
Pyrido[3,4-d]pyrimidine, 4-chloro-2-methyl-,
F2167-5216,
|
| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.607g/mol |
| Monoisotopic Mass | 179.025g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 38.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H301-H311-H331
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
|
|
UN Code
|
UN 2810
|
Certificate of Analysis
Lot Number