1-(3-Chlorobenzyl)-1H-indole-3-carbaldehyde - CAS 90815-01-3
Catalog: |
BB047157 |
Product Name: |
1-(3-Chlorobenzyl)-1H-indole-3-carbaldehyde |
CAS: |
90815-01-3 |
Synonyms: |
1H-Indole-3-carboxaldehyde, 1-[(3-chlorophenyl)methyl]- |
IUPAC Name: | 1-[(3-chlorophenyl)methyl]indole-3-carbaldehyde |
Description: | 1-(3-Chlorobenzyl)-1H-indole-3-carbaldehyde (CAS# 90815-01-3 ) is a useful research chemical. |
Molecular Weight: | 269.72 |
Molecular Formula: | C16H12ClNO |
Canonical SMILES: | C1=CC=C2C(=C1)C(=CN2CC3=CC(=CC=C3)Cl)C=O |
InChI: | InChI=1S/C16H12ClNO/c17-14-5-3-4-12(8-14)9-18-10-13(11-19)15-6-1-2-7-16(15)18/h1-8,10-11H,9H2 |
InChI Key: | NANCGWIQWABHDC-UHFFFAOYSA-N |
Boiling Point: | 465.5 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.21 g/cm3 |
Complexity: | 322 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 269.0607417 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 269.0607417 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 22 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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