| CAS Number | 1260178-67-3 |
| Catalog Number | AG000QR5(AGN-PC-0BLDIF) |
| Chemical Name | 4-chloro-8-Methoxypyrido[3,4-d]pyriMidine |
| IUPAC Name | 4-chloro-8-methoxypyrido[3,4-d]pyrimidine |
| InChI | InChI=1S/C8H6ClN3O/c1-13-8-6-5(2-3-10-8)7(9)12-4-11-6/h2-4H,1H3 |
| InChI Key | OXNFDWDEWXFKLG-UHFFFAOYSA-N |
| MDL Number | MFCD20258064 |
| Molecular Formula | C8H6ClN3O |
| Molecular Weight | 195.6057 |
| SMILES | COC1=NC=CC2=C(Cl)N=CN=C21 |
| Synonyms | 4-chloro-8-methoxypyrido[3,4-d]pyrimidine,
1260178-67-3,
Pyrido[3,4-d]pyrimidine, 4-chloro-8-methoxy-,
DTXSID10719914,
4929AA,
MFCD20258064,
RW3262,
ZINC72319674,
AKOS016000355,
ACN-001442,
FCH1601818,
QC-1160,
KS-00000R00,
AK118854,
AS-48559,
AJ-120998,
AX8244270,
C8H6ClN3O,
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| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.606g/mol |
| Monoisotopic Mass | 195.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 47.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number