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Home > Aldehydes > 1325724-92-2
1325724-92-2 | 1-(3,4-dichlorophenyl)-1H-1,2,3-triazole-4-carbaldehyde
CAS No: 1325724-92-2 Catalog No: AG01A60J MDL No:MFCD21715559
Product Description
Catalog Number:
AG01A60J
Chemical Name:
1-(3,4-dichlorophenyl)-1H-1,2,3-triazole-4-carbaldehyde
CAS Number:
1325724-92-2
Molecular Formula:
C9H5Cl2N3O
Molecular Weight:
242.0615
MDL Number:
MFCD21715559
IUPAC Name:
1-(3,4-dichlorophenyl)triazole-4-carbaldehyde
InChI:
InChI=1S/C9H5Cl2N3O/c10-8-2-1-7(3-9(8)11)14-4-6(5-15)12-13-14/h1-5H
InChI Key:
CDVNHFMDFXOJIM-UHFFFAOYSA-N
SMILES:
O=Cc1nnn(c1)c1ccc(c(c1)Cl)Cl
Properties
Complexity:
241
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 |
|---|---|
| Novel 1,2,3-triazole derivatives for use against Mycobacterium tuberculosis H37Rv (ATCC 27294) strain. | Journal of medicinal chemistry 20110908 |
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