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126961-71-5 | Ethanone, 1-(2-bromophenyl)-2-(1H-1,2,4-triazol-1-yl)-
CAS No: 126961-71-5 Catalog No: AG000WGY MDL No:
Product Description
Catalog Number:
AG000WGY
Chemical Name:
Ethanone, 1-(2-bromophenyl)-2-(1H-1,2,4-triazol-1-yl)-
CAS Number:
126961-71-5
Molecular Formula:
C10H8BrN3O
Molecular Weight:
266.0940
IUPAC Name:
1-(2-bromophenyl)-2-(1,2,4-triazol-1-yl)ethanone
InChI:
InChI=1S/C10H8BrN3O/c11-9-4-2-1-3-8(9)10(15)5-14-7-12-6-13-14/h1-4,6-7H,5H2
InChI Key:
WXERDXJZOKCUPJ-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1Br)Cn1cncn1
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.985g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.098g/mol
Monoisotopic Mass:
264.985g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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