6-(3-Nitrophenyl)-2-pyridinecarboxaldehyde - CAS 52583-70-7
Catalog: |
BB027876 |
Product Name: |
6-(3-Nitrophenyl)-2-pyridinecarboxaldehyde |
CAS: |
52583-70-7 |
Synonyms: |
6-(3-nitrophenyl)pyridine-2-carbaldehyde |
IUPAC Name: | 6-(3-nitrophenyl)pyridine-2-carbaldehyde |
Description: | 6-(3-Nitrophenyl)-2-pyridinecarboxaldehyde (CAS# 52583-70-7 ) is a useful research chemical. |
Molecular Weight: | 228.20 |
Molecular Formula: | C12H8N2O3 |
Canonical SMILES: | C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC(=CC=C2)C=O |
InChI: | InChI=1S/C12H8N2O3/c15-8-10-4-2-6-12(13-10)9-3-1-5-11(7-9)14(16)17/h1-8H |
InChI Key: | MEBRRQOWKWXTRB-UHFFFAOYSA-N |
Boiling Point: | 404.5 °C at 760 mmHg |
Density: | 1.331 g/cm3 |
Appearance: | White to tan powder, crystals, crystalline powder and/or chunks |
MDL: | MFCD06410032 |
LogP: | 2.99250 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.05349212 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.05349212 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 75.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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