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132416-78-5 | 1-Methyl-3-(2-oxo-2-phenylethyl)-1H-1,2,3-benzotriazol-1-ium bromide
CAS No: 132416-78-5 Catalog No: AG01ES7F MDL No:
Product Description
Catalog Number:
AG01ES7F
Chemical Name:
1-Methyl-3-(2-oxo-2-phenylethyl)-1H-1,2,3-benzotriazol-1-ium bromide
CAS Number:
132416-78-5
Molecular Formula:
C15H14BrN3O
Molecular Weight:
332.1952
IUPAC Name:
2-(3-methylbenzotriazol-3-ium-1-yl)-1-phenylethanone;bromide
InChI:
InChI=1S/C15H14N3O.BrH/c1-17-13-9-5-6-10-14(13)18(16-17)11-15(19)12-7-3-2-4-8-12;/h2-10H,11H2,1H3;1H/q+1;/p-1
InChI Key:
NWDNTGKEORSIKD-UHFFFAOYSA-M
SMILES:
O=C(c1ccccc1)Cn1n[n+](c2c1cccc2)C.[Br-]
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.032g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.201g/mol
Monoisotopic Mass:
331.032g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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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