| CAS Number | 123551-49-5 |
| Catalog Number | AG000KT0(AGN-PC-000W67) |
| Chemical Name | Pyrimidine, 5-chloro-2,4-dimethoxy- |
| IUPAC Name | 5-chloro-2,4-dimethoxypyrimidine |
| InChI | InChI=1S/C6H7ClN2O2/c1-10-5-4(7)3-8-6(9-5)11-2/h3H,1-2H3 |
| InChI Key | NEAICPKWHCRGIM-UHFFFAOYSA-N |
| MDL Number | MFCD13619877 |
| Molecular Formula | C6H7ClN2O2 |
| Molecular Weight | 174.5850 |
| SMILES | COC1=NC(OC)=NC=C1Cl |
| Synonyms | 5-CHLORO-2,4-DIMETHOXYPYRIMIDINE,
123551-49-5,
SCHEMBL8116805,
CTK8E5214,
KS-00000DZU,
DTXSID10558244,
NEAICPKWHCRGIM-UHFFFAOYSA-N,
MFCD13619877,
ZINC34261071,
AKOS027423940,
FCH1173879,
CS-12150,
DA-19343,
SY038773,
RT-010265,
FT-0745026,
MFCD13619877 (95%),
J-004953,
C-2472,
|
| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.584g/mol |
| Monoisotopic Mass | 174.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P280-P301+P312-P302+P352-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number