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Home > Aldehydes > 916151-02-5
916151-02-5 | 1H-1,2,3-Triazole-4-carboxaldehyde, 1-(2,5-dimethoxyphenyl)-
CAS No: 916151-02-5 Catalog No: AG006FMH MDL No:
Product Description
Catalog Number:
AG006FMH
Chemical Name:
1H-1,2,3-Triazole-4-carboxaldehyde, 1-(2,5-dimethoxyphenyl)-
CAS Number:
916151-02-5
Molecular Formula:
C11H11N3O3
Molecular Weight:
233.2233
IUPAC Name:
1-(2,5-dimethoxyphenyl)triazole-4-carbaldehyde
InChI:
InChI=1S/C11H11N3O3/c1-16-9-3-4-11(17-2)10(5-9)14-6-8(7-15)12-13-14/h3-7H,1-2H3
InChI Key:
YZFKWAFEOTYBIE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1n1nnc(c1)C=O)OC
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.227g/mol
Monoisotopic Mass:
233.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Synthesis, tuberculosis inhibitory activity, and SAR study of N-substituted-phenyl-1,2,3-triazole derivatives. | Bioorganic & medicinal chemistry 20061215 |
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