4-Fluoroindole-3-carbaldehyde - CAS 23073-31-6
Catalog: |
BB017907 |
Product Name: |
4-Fluoroindole-3-carbaldehyde |
CAS: |
23073-31-6 |
Synonyms: |
4-fluoro-1H-indole-3-carboxaldehyde; 4-fluoro-1H-indole-3-carbaldehyde |
IUPAC Name: | 4-fluoro-1H-indole-3-carbaldehyde |
Description: | 4-Fluoroindole-3-carbaldehyde (CAS# 23073-31-6) is a useful research chemical. |
Molecular Weight: | 163.15 |
Molecular Formula: | C9H6FNO |
Canonical SMILES: | C1=CC2=C(C(=C1)F)C(=CN2)C=O |
InChI: | InChI=1S/C9H6FNO/c10-7-2-1-3-8-9(7)6(5-12)4-11-8/h1-5,11H |
InChI Key: | CMNRHJOJYQIGDD-UHFFFAOYSA-N |
Boiling Point: | 342.423 ℃ at 760 mmHg |
Density: | 1.386 g/cm3 |
LogP: | 2.11950 |
Publication Number | Title | Priority Date |
CN-112479972-A | Synthesis method of 5-iodoindole compound | 20210128 |
CN-108329249-A | A kind of method of synthesis of indole -3- benzaldehyde compounds | 20180209 |
CN-108329249-B | Method for synthesizing indole-3-formaldehyde compound | 20180209 |
EP-3596089-A1 | Antibacterial compounds | 20170316 |
US-2020199118-A1 | Antibacterial compounds | 20170316 |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.043341977 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.043341977 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 32.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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