Methyl 6-Chloro-5-nitronicotinate - CAS 59237-53-5
Catalog: |
BB030308 |
Product Name: |
Methyl 6-Chloro-5-nitronicotinate |
CAS: |
59237-53-5 |
Synonyms: |
6-chloro-5-nitro-3-pyridinecarboxylic acid methyl ester; methyl 6-chloro-5-nitropyridine-3-carboxylate |
IUPAC Name: | methyl 6-chloro-5-nitropyridine-3-carboxylate |
Description: | Methyl 6-Chloro-5-nitronicotinate (CAS# 59237-53-5) is a building block used for the synthesis of various pharmaceutical compounds, such as anticoccidial agents. |
Molecular Weight: | 216.58 |
Molecular Formula: | C7H5ClN2O4 |
Canonical SMILES: | COC(=O)C1=CC(=C(N=C1)Cl)[N+](=O)[O-] |
InChI: | InChI=1S/C7H5ClN2O4/c1-14-7(11)4-2-5(10(12)13)6(8)9-3-4/h2-3H,1H3 |
InChI Key: | BRPREIDVQXJOJH-UHFFFAOYSA-N |
Boiling Point: | 317.8 °C at 760 mmHg |
Density: | 1.5 g/cm3 |
MDL: | MFCD01928341 |
LogP: | 1.95300 |
GHS Hazard Statement: | H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.9937843 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.9937843 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 85 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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