5-Fluoro-1-methyl-1H-indole-2-carbaldehyde - CAS 883531-48-4
Catalog: |
BB038833 |
Product Name: |
5-Fluoro-1-methyl-1H-indole-2-carbaldehyde |
CAS: |
883531-48-4 |
Synonyms: |
5-fluoro-1-methylindole-2-carbaldehyde |
IUPAC Name: | 5-fluoro-1-methylindole-2-carbaldehyde |
Description: | 5-Fluoro-1-methyl-1H-indole-2-carbaldehyde (CAS# 883531-48-4) is a useful research chemical. |
Molecular Weight: | 177.18 |
Molecular Formula: | C10H8FNO |
Canonical SMILES: | CN1C2=C(C=C(C=C2)F)C=C1C=O |
InChI: | InChI=1S/C10H8FNO/c1-12-9(6-13)5-7-4-8(11)2-3-10(7)12/h2-6H,1H3 |
InChI Key: | VNPPQGQRPBIRPW-UHFFFAOYSA-N |
Boiling Point: | 322.322 °C at 760 mmHg |
Density: | 1.209 g/cm3 |
LogP: | 2.12990 |
Publication Number | Title | Priority Date |
EP-3404021-A1 | Voltage-dependent t-type calcium channel inhibitor | 20160112 |
JP-WO2017122754-A1 | Voltage-dependent T-type calcium channel inhibitor | 20160112 |
US-2019077767-A1 | Voltage-dependent t-type calcium channel blocker | 20160112 |
WO-2017122754-A1 | Voltage-dependent t-type calcium channel inhibitor | 20160112 |
CN-103201261-A | Lactam derivatives useful as orexin receptor antagonists | 20101110 |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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