Methyl 5-Nitrouracil-6-carboxylate - CAS 6311-73-5
Catalog: |
BB032007 |
Product Name: |
Methyl 5-Nitrouracil-6-carboxylate |
CAS: |
6311-73-5 |
Synonyms: |
5-nitro-2,4-dioxo-1H-pyrimidine-6-carboxylic acid methyl ester; methyl 5-nitro-2,4-dioxo-1H-pyrimidine-6-carboxylate |
IUPAC Name: | methyl 5-nitro-2,4-dioxo-1H-pyrimidine-6-carboxylate |
Description: | Methyl 5-Nitrouracil-6-carboxylate (CAS# 6311-73-5) is a useful research chemical. |
Molecular Weight: | 215.12 |
Molecular Formula: | C6H5N3O6 |
Canonical SMILES: | COC(=O)C1=C(C(=O)NC(=O)N1)[N+](=O)[O-] |
InChI: | InChI=1S/C6H5N3O6/c1-15-5(11)2-3(9(13)14)4(10)8-6(12)7-2/h1H3,(H2,7,8,10,12) |
InChI Key: | KPNLMRWITBJHTK-UHFFFAOYSA-N |
Density: | 1.68 g/cm3 |
MDL: | MFCD01346736 |
LogP: | -0.71880 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
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: | 392 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.01783489 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.01783489 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 130 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.9 |
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