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26060-06-0 | 4H-3,1-Benzoxazin-4-one, 2-(2-thienyl)-
CAS No: 26060-06-0 Catalog No: AG002RJO MDL No:MFCD00116094
Product Description
Catalog Number:
AG002RJO
Chemical Name:
4H-3,1-Benzoxazin-4-one, 2-(2-thienyl)-
CAS Number:
26060-06-0
Molecular Formula:
C12H7NO2S
Molecular Weight:
229.2545
MDL Number:
MFCD00116094
IUPAC Name:
2-thiophen-2-yl-3,1-benzoxazin-4-one
InChI:
InChI=1S/C12H7NO2S/c14-12-8-4-1-2-5-9(8)13-11(15-12)10-6-3-7-16-10/h1-7H
InChI Key:
VGHJEBXWEGFRGH-UHFFFAOYSA-N
SMILES:
O=c1oc(nc2c1cccc2)c1cccs1
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.02g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.253g/mol
Monoisotopic Mass:
229.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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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