5,6-Difluoro-1H-indole-3-carbaldehyde - CAS 260267-07-0
Catalog: |
BB046736 |
Product Name: |
5,6-Difluoro-1H-indole-3-carbaldehyde |
CAS: |
260267-07-0 |
Synonyms: |
1H-Indole-3-carboxaldehyde, 5,6-difluoro-; 5,6-difluoroindole-3-carboxaldehyde |
IUPAC Name: | 5,6-difluoro-1H-indole-3-carbaldehyde |
Description: | 5,6-Difluoro-1H-indole-3-carbaldehyde (CAS# 260267-07-0 ) is a useful research chemical. |
Molecular Weight: | 181.14 |
Molecular Formula: | C9H5F2NO |
Canonical SMILES: | C1=C2C(=CC(=C1F)F)NC=C2C=O |
InChI: | InChI=1S/C9H5F2NO/c10-7-1-6-5(4-13)3-12-9(6)2-8(7)11/h1-4,12H |
InChI Key: | JVFNNILBFBSJLA-UHFFFAOYSA-N |
Boiling Point: | 348.2±37.0 °C (Predicted) |
Purity: | 95 % |
Density: | 1.485 g/cm3 |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.03392011 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.03392011 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 32.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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