Methyl 6-bromonicotinate - CAS 26218-78-0
Catalog: |
BB019201 |
Product Name: |
Methyl 6-bromonicotinate |
CAS: |
26218-78-0 |
Synonyms: |
6-bromo-3-pyridinecarboxylic acid methyl ester; methyl 6-bromopyridine-3-carboxylate |
IUPAC Name: | methyl 6-bromopyridine-3-carboxylate |
Description: | Methyl 6-bromonicotinate (CAS# 26218-78-0) is a useful research chemical. |
Molecular Weight: | 216.03 |
Molecular Formula: | C7H6BrNO2 |
Canonical SMILES: | COC(=O)C1=CN=C(C=C1)Br |
InChI: | InChI=1S/C7H6BrNO2/c1-11-7(10)5-2-3-6(8)9-4-5/h2-4H,1H3 |
InChI Key: | NFLROFLPSNZIAH-UHFFFAOYSA-N |
Purity: | 97.0 % |
Density: | 1.579 g/cm3 |
MDL: | MFCD04972371 |
LogP: | 1.63070 |
GHS Hazard Statement: | H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111662554-A | Polyacetal composition and preparation method and application thereof | 20200713 |
CN-113264945-A | Spiro derivative, preparation method and medical application thereof | 20200217 |
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Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.95819 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.95819 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 39.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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