5-Fluoro-1-methyl-1H-indole-3-carbaldehyde - CAS 441715-30-6
Catalog: |
BB025541 |
Product Name: |
5-Fluoro-1-methyl-1H-indole-3-carbaldehyde |
CAS: |
441715-30-6 |
Synonyms: |
5-fluoro-1-methylindole-3-carbaldehyde |
IUPAC Name: | 5-fluoro-1-methylindole-3-carbaldehyde |
Description: | 5-Fluoro-1-methyl-1H-indole-3-carbaldehyde (CAS# 441715-30-6) is a useful research chemical. |
Molecular Weight: | 177.18 |
Molecular Formula: | C10H8FNO |
Canonical SMILES: | CN1C=C(C2=C1C=CC(=C2)F)C=O |
InChI: | InChI=1S/C10H8FNO/c1-12-5-7(6-13)9-4-8(11)2-3-10(9)12/h2-6H,1H3 |
InChI Key: | ZBZJEWSFESAGMQ-UHFFFAOYSA-N |
Boiling Point: | 322.3 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.2 g/cm3 |
Solubility: | >26.6 [ug/mL] (The mean of the results at pH 7.4) |
LogP: | 2.12990 |
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, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2013159564-A | TLR9 inhibitor comprising pyrazolopyrimidine-7-amine derivative as an active ingredient | 20120202 |
CN-1906169-A | Therapeutic agents I | 20040107 |
EP-1706384-A1 | Therapeutic agents i | 20040107 |
US-2007185079-A1 | Therapeutic agents I | 20040107 |
WO-2005066132-A1 | Therapeutic agents i | 20040107 |
Complexity: | 209 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.058992041 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.058992041 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 22 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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