1-Benzylindazole-3-carbaldehyde - CAS 1186509-61-4
Catalog: |
BB073658 |
Product Name: |
1-Benzylindazole-3-carbaldehyde |
CAS: |
1186509-61-4 |
Synonyms: |
1-Benzyl-1H-indazole-3-carboxaldehyde; 1-Benzyl-3-formylindazole; 1-(Phenylmethyl)-1H-indazole-3-carboxaldehyde |
IUPAC Name: | 1-benzylindazole-3-carbaldehyde |
Description: | 1-Benzylindazole-3-carbaldehyde |
Molecular Weight: | 236.27 |
Molecular Formula: | C15H12N2O |
Canonical SMILES: | C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=N2)C=O |
InChI: | InChI=1S/C15H12N2O/c18-11-14-13-8-4-5-9-15(13)17(16-14)10-12-6-2-1-3-7-12/h1-9,11H,10H2 |
InChI Key: | QFBGYIRPJDSBJM-UHFFFAOYSA-N |
Complexity: | 288 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.094963011 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.094963011 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 34.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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