Methyl 2,6-Dichloro-5-nitropyrimidine-4-carboxylate - CAS 52047-13-9
Catalog: |
BB027693 |
Product Name: |
Methyl 2,6-Dichloro-5-nitropyrimidine-4-carboxylate |
CAS: |
52047-13-9 |
Synonyms: |
2,6-dichloro-5-nitro-4-pyrimidinecarboxylic acid methyl ester; methyl 2,6-dichloro-5-nitropyrimidine-4-carboxylate |
IUPAC Name: | methyl 2,6-dichloro-5-nitropyrimidine-4-carboxylate |
Description: | Methyl 2,6-Dichloro-5-nitropyrimidine-4-carboxylate (CAS# 52047-13-9) is a useful research chemical. |
Molecular Weight: | 252.01 |
Molecular Formula: | C6H3Cl2N3O4 |
Canonical SMILES: | COC(=O)C1=C(C(=NC(=N1)Cl)Cl)[N+](=O)[O-] |
InChI: | InChI=1S/C6H3Cl2N3O4/c1-15-5(12)2-3(11(13)14)4(7)10-6(8)9-2/h1H3 |
InChI Key: | QOZVZJLPNJOHFA-UHFFFAOYSA-N |
MDL: | MFCD09475418 |
LogP: | 2.00140 |
Publication Number | Title | Priority Date |
CN-112830928-A | Pyrimido-cyclic derivative and application thereof in medicine | 20191122 |
EP-3519402-A1 | Inhibitors of kras g12c mutant proteins | 20160929 |
JP-2019529484-A | Inhibitor of KRAS G12C mutant protein | 20160929 |
US-10280172-B2 | Inhibitors of KRAS G12C mutant proteins | 20160929 |
US-2018155348-A1 | Inhibitors of kras g12c mutant proteins | 20160929 |
Complexity: | 272 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.950061 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.950061 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 97.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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