1-(2,5-Dimethylbenzyl)-2-methyl-1H-indole-3-carbaldehyde - CAS 174727-79-8
Catalog: |
BB048195 |
Product Name: |
1-(2,5-Dimethylbenzyl)-2-methyl-1H-indole-3-carbaldehyde |
CAS: |
174727-79-8 |
Synonyms: |
1-(2,5-dimethylbenzyl)-2-methyl-1H-indole-3-carbaldehyde |
IUPAC Name: | 1-[(2,5-dimethylphenyl)methyl]-2-methylindole-3-carbaldehyde |
Description: | 1-(2,5-Dimethylbenzyl)-2-methyl-1H-indole-3-carbaldehyde (CAS# 174727-79-8 ) is a useful research chemical. |
Molecular Weight: | 277.36 |
Molecular Formula: | C19H19NO |
Canonical SMILES: | CC1=CC(=C(C=C1)C)CN2C(=C(C3=CC=CC=C32)C=O)C |
InChI: | InChI=1S/C19H19NO/c1-13-8-9-14(2)16(10-13)11-20-15(3)18(12-21)17-6-4-5-7-19(17)20/h4-10,12H,11H2,1-3H3 |
InChI Key: | BKBLYESGHXPJPV-UHFFFAOYSA-N |
Complexity: | 369 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 277.14666423 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 277.14666423 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 22 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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