3-(2-Pyridyl)benzaldehyde - CAS 85553-53-3
Catalog: |
BB037650 |
Product Name: |
3-(2-Pyridyl)benzaldehyde |
CAS: |
85553-53-3 |
Synonyms: |
3-(2-pyridinyl)benzaldehyde; 3-pyridin-2-ylbenzaldehyde |
IUPAC Name: | 3-pyridin-2-ylbenzaldehyde |
Description: | 3-(2-Pyridyl)benzaldehyde (CAS# 85553-53-3) is a useful research chemical. |
Molecular Weight: | 183.21 |
Molecular Formula: | C12H9NO |
Canonical SMILES: | C1=CC=NC(=C1)C2=CC(=CC=C2)C=O |
InChI: | InChI=1S/C12H9NO/c14-9-10-4-3-5-11(8-10)12-6-1-2-7-13-12/h1-9H |
InChI Key: | SAPNGHSAYQXRPG-UHFFFAOYSA-N |
Boiling Point: | 345.5 °C at 760 mmHg |
Density: | 1.147 g/cm3 |
LogP: | 2.56110 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110759855-A | Preparation method of meta-alkenyl aromatic compound | 20191117 |
CN-110759857-A | Method for preparing meta-cyano aromatic compound | 20191117 |
CN-110818620-A | Preparation method of meta-aromatic aldehyde | 20191117 |
US-2017360801-A1 | Bromodomain inhibitor as adjuvant in cancer immunotherapy | 20141205 |
US-10813939-B2 | Bromodomain inhibitor as adjuvant in cancer immunotherapy | 20141205 |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.068413911 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 30 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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