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Home > Aldehydes > 916150-98-6
916150-98-6 | 1H-1,2,3-Triazole-4-carboxaldehyde, 1-(3,5-dichlorophenyl)-
CAS No: 916150-98-6 Catalog No: AG006S75 MDL No:
Product Description
Catalog Number:
AG006S75
Chemical Name:
1H-1,2,3-Triazole-4-carboxaldehyde, 1-(3,5-dichlorophenyl)-
CAS Number:
916150-98-6
Molecular Formula:
C9H5Cl2N3O
Molecular Weight:
242.0615
IUPAC Name:
1-(3,5-dichlorophenyl)triazole-4-carbaldehyde
InChI:
InChI=1S/C9H5Cl2N3O/c10-6-1-7(11)3-9(2-6)14-4-8(5-15)12-13-14/h1-5H
InChI Key:
VQRJCEPGTFVRRT-UHFFFAOYSA-N
SMILES:
O=Cc1nnn(c1)c1cc(Cl)cc(c1)Cl
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.981g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.059g/mol
Monoisotopic Mass:
240.981g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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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