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Home > Aldehydes > 916151-04-7
916151-04-7 | 1H-1,2,3-Triazole-4-carboxaldehyde, 1-(4-bromophenyl)-
CAS No: 916151-04-7 Catalog No: AG006FMG MDL No:MFCD10696364
Product Description
Catalog Number:
AG006FMG
Chemical Name:
1H-1,2,3-Triazole-4-carboxaldehyde, 1-(4-bromophenyl)-
CAS Number:
916151-04-7
Molecular Formula:
C9H6BrN3O
Molecular Weight:
252.0674
MDL Number:
MFCD10696364
IUPAC Name:
1-(4-bromophenyl)triazole-4-carbaldehyde
InChI:
InChI=1S/C9H6BrN3O/c10-7-1-3-9(4-2-7)13-5-8(6-14)11-12-13/h1-6H
InChI Key:
BTQYPLKFLNXZTD-UHFFFAOYSA-N
SMILES:
O=Cc1nnn(c1)c1ccc(cc1)Br
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.969g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.071g/mol
Monoisotopic Mass:
250.969g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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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