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15561-76-9 | 1,2,3-Benzotriazin-4(3H)-one, 3-(2-phenylethyl)-
CAS No: 15561-76-9 Catalog No: AG001O29 MDL No:
Product Description
Catalog Number:
AG001O29
Chemical Name:
1,2,3-Benzotriazin-4(3H)-one, 3-(2-phenylethyl)-
CAS Number:
15561-76-9
Molecular Formula:
C15H13N3O
Molecular Weight:
251.2832
IUPAC Name:
3-(2-phenylethyl)-1,2,3-benzotriazin-4-one
InChI:
InChI=1S/C15H13N3O/c19-15-13-8-4-5-9-14(13)16-17-18(15)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2
InChI Key:
LNSOYWFCGVLLTC-UHFFFAOYSA-N
SMILES:
O=c1n(CCc2ccccc2)nnc2c1cccc2
NSC Number:
126112
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.289g/mol
Monoisotopic Mass:
251.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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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