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Home > Fluorides > 101767-69-5
101767-69-5 | Ethanone, 1-[3-methyl-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-
CAS No: 101767-69-5 Catalog No: AG0005F9 MDL No:
Product Description
Catalog Number:
AG0005F9
Chemical Name:
Ethanone, 1-[3-methyl-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-
CAS Number:
101767-69-5
Molecular Formula:
C12H10F3NOS
Molecular Weight:
273.2741
IUPAC Name:
1-[3-methyl-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]ethanone
InChI:
InChI=1S/C12H10F3NOS/c1-6-11(7(2)17)18-10-4-3-8(12(13,14)15)5-9(10)16-6/h3-5,16H,1-2H3
InChI Key:
XEMCKQQTJCPSAQ-UHFFFAOYSA-N
SMILES:
CC1=C(Sc2c(N1)cc(cc2)C(F)(F)F)C(=O)C
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.044g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.273g/mol
Monoisotopic Mass:
273.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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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