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163729-26-8 | 2-(1H-1,2,3-Benzotriazol-1-yl)-1-(4-bromophenyl)ethan-1-one
CAS No: 163729-26-8 Catalog No: AG01F6XM MDL No:
Product Description
Catalog Number:
AG01F6XM
Chemical Name:
2-(1H-1,2,3-Benzotriazol-1-yl)-1-(4-bromophenyl)ethan-1-one
CAS Number:
163729-26-8
Molecular Formula:
C14H10BrN3O
Molecular Weight:
316.1527
IUPAC Name:
2-(benzotriazol-1-yl)-1-(4-bromophenyl)ethanone
InChI:
InChI=1S/C14H10BrN3O/c15-11-7-5-10(6-8-11)14(19)9-18-13-4-2-1-3-12(13)16-17-18/h1-8H,9H2
InChI Key:
VGUSWIHOGHPDPF-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(=O)Cn1nnc2c1cccc2
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.001g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.158g/mol
Monoisotopic Mass:
315.001g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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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