5-[4-(Trifluoromethyl)phenyl]-3-pyridinecarbaldehyde - CAS 885959-40-0
Catalog: |
BB039022 |
Product Name: |
5-[4-(Trifluoromethyl)phenyl]-3-pyridinecarbaldehyde |
CAS: |
885959-40-0 |
Synonyms: |
5-[4-(trifluoromethyl)phenyl]-3-pyridinecarboxaldehyde; 5-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde |
IUPAC Name: | 5-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde |
Description: | 5-[4-(Trifluoromethyl)phenyl]-3-pyridinecarbaldehyde (CAS# 885959-40-0 ) is a useful research chemical. |
Molecular Weight: | 251.20 |
Molecular Formula: | C13H8F3NO |
Canonical SMILES: | C1=CC(=CC=C1C2=CC(=CN=C2)C=O)C(F)(F)F |
InChI: | InChI=1S/C13H8F3NO/c14-13(15,16)12-3-1-10(2-4-12)11-5-9(8-18)6-17-7-11/h1-8H |
InChI Key: | YPJWCFBCSVKYHB-UHFFFAOYSA-N |
LogP: | 3.57990 |
Complexity: | 285 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.05579836 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.05579836 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 30 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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