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1736-66-9 | Acetamide, N-(2,2-difluoro-6-nitro-1,3-benzodioxol-5-yl)-
CAS No: 1736-66-9 Catalog No: AG001Z28 MDL No:
Product Description
Catalog Number:
AG001Z28
Chemical Name:
Acetamide, N-(2,2-difluoro-6-nitro-1,3-benzodioxol-5-yl)-
CAS Number:
1736-66-9
Molecular Formula:
C9H6F2N2O5
Molecular Weight:
260.1511
IUPAC Name:
N-(2,2-difluoro-6-nitro-1,3-benzodioxol-5-yl)acetamide
InChI:
InChI=1S/C9H6F2N2O5/c1-4(14)12-5-2-7-8(3-6(5)13(15)16)18-9(10,11)17-7/h2-3H,1H3,(H,12,14)
InChI Key:
CAEOZURPACAVKU-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cc2OC(Oc2cc1[N+](=O)[O-])(F)F
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.024g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.153g/mol
Monoisotopic Mass:
260.024g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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