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Home > Nitro Compounds > 63546-22-5
63546-22-5 | N-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CAS No: 63546-22-5 Catalog No: AG019OW2 MDL No:MFCD00099416
Product Description
Catalog Number:
AG019OW2
Chemical Name:
N-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CAS Number:
63546-22-5
Molecular Formula:
C10H10N2O5
Molecular Weight:
238.1968
MDL Number:
MFCD00099416
IUPAC Name:
N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
InChI:
InChI=1S/C10H10N2O5/c1-6(13)11-7-4-9-10(17-3-2-16-9)5-8(7)12(14)15/h4-5H,2-3H2,1H3,(H,11,13)
InChI Key:
QGKTYGXOBZLUPZ-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cc2OCCOc2cc1[N+](=O)[O-]
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.059g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.199g/mol
Monoisotopic Mass:
238.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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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