3-Formylindole-4-carbonitrile - CAS 53269-35-5
Catalog: |
BB028114 |
Product Name: |
3-Formylindole-4-carbonitrile |
CAS: |
53269-35-5 |
Synonyms: |
3-formyl-1H-indole-4-carbonitrile; 3-formyl-1H-indole-4-carbonitrile |
IUPAC Name: | 3-formyl-1H-indole-4-carbonitrile |
Description: | 3-Formylindole-4-carbonitrile (CAS# 53269-35-5 ) is a useful research chemical. |
Molecular Weight: | 170.17 |
Molecular Formula: | C10H6N2O |
Canonical SMILES: | C1=CC(=C2C(=C1)NC=C2C=O)C#N |
InChI: | InChI=1S/C10H6N2O/c11-4-7-2-1-3-9-10(7)8(6-13)5-12-9/h1-3,5-6,12H |
InChI Key: | UEKTZTWPXLKXBB-UHFFFAOYSA-N |
LogP: | 1.85208 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-2558577-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
US-2013281324-A1 | Bi-functinal complexes and methods for making and using such complexes | 20100416 |
WO-2011127933-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
US-4017313-A | Photosensitive composition containing a leuco dye, a photosensitizer, an aromatic aldehyde and a secondary or tertiary amine and the use thereof in a direct-print process | 19740930 |
Complexity: | 255 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.048012819 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.048012819 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 56.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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