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Home > Fluorides > 138621-69-9
138621-69-9 | Acetamide, N-(6,7-dihydro-7-oxo-5H-indeno[5,6-d]-1,3-dioxol-5-yl)-2,2,2-trifluoro-
CAS No: 138621-69-9 Catalog No: AG0018W3 MDL No:MFCD03102675
Product Description
Catalog Number:
AG0018W3
Chemical Name:
Acetamide, N-(6,7-dihydro-7-oxo-5H-indeno[5,6-d]-1,3-dioxol-5-yl)-2,2,2-trifluoro-
CAS Number:
138621-69-9
Molecular Formula:
C12H8F3NO4
Molecular Weight:
287.1914
MDL Number:
MFCD03102675
IUPAC Name:
2,2,2-trifluoro-N-(7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl)acetamide
InChI:
InChI=1S/C12H8F3NO4/c13-12(14,15)11(18)16-7-3-8(17)6-2-10-9(1-5(6)7)19-4-20-10/h1-2,7H,3-4H2,(H,16,18)
InChI Key:
HKZPPLCWYCSMAM-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)NC1CC(=O)c2c1cc1OCOc1c2
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.041g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.194g/mol
Monoisotopic Mass:
287.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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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