6-Fluoroindole-3-carboxaldehyde - CAS 2795-41-7
Catalog: |
BB019718 |
Product Name: |
6-Fluoroindole-3-carboxaldehyde |
CAS: |
2795-41-7 |
Synonyms: |
6-fluoro-1H-indole-3-carboxaldehyde; 6-fluoro-1H-indole-3-carbaldehyde |
IUPAC Name: | 6-fluoro-1H-indole-3-carbaldehyde |
Description: | 6-Fluoroindole-3-carboxaldehyde (CAS# 2795-41-7) is a useful research chemical. |
Molecular Weight: | 163.15 |
Molecular Formula: | C9H6FNO |
Canonical SMILES: | C1=CC2=C(C=C1F)NC=C2C=O |
InChI: | InChI=1S/C9H6FNO/c10-7-1-2-8-6(5-12)4-11-9(8)3-7/h1-5,11H |
InChI Key: | CWCYUOSLRVAKQZ-UHFFFAOYSA-N |
Boiling Point: | 342.4 °C at 760 mmHg |
Density: | 1.385 g/cm3 |
MDL: | MFCD00069703 |
LogP: | 2.11950 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021017795-A1 | α,β-UNSATURATED KETONE DERIVATIVE, PREPARATION METHOD AND USE AS MEDICINE | 20190726 |
TW-202104218-A | Chiral indole compounds and their use | 20190415 |
KR-102114389-B1 | Novel sodium channel inhibitor compound, preparation method thereof, and pharmaceutical composition for prevention or treatment of sodium channel related diseases containing the same as an active ingredient | 20180502 |
KR-20190126525-A | Novel sodium channel inhibitor compound, preparation method thereof, and pharmaceutical composition for prevention or treatment of sodium channel related diseases containing the same as an active ingredient | 20180502 |
CN-108329249-A | A kind of method of synthesis of indole -3- benzaldehyde compounds | 20180209 |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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