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Home > Nitro Compounds > 554436-87-2
554436-87-2 | 2-cyano-N-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CAS No: 554436-87-2 Catalog No: AG019I9T MDL No:MFCD03987220
Product Description
Catalog Number:
AG019I9T
Chemical Name:
2-cyano-N-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CAS Number:
554436-87-2
Molecular Formula:
C11H9N3O5
Molecular Weight:
263.2063
MDL Number:
MFCD03987220
IUPAC Name:
2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
InChI:
InChI=1S/C11H9N3O5/c12-2-1-11(15)13-7-5-9-10(19-4-3-18-9)6-8(7)14(16)17/h5-6H,1,3-4H2,(H,13,15)
InChI Key:
GNOYBLOYMSSKNJ-UHFFFAOYSA-N
SMILES:
N#CCC(=O)Nc1cc2OCCOc2cc1[N+](=O)[O-]
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.054g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.209g/mol
Monoisotopic Mass:
263.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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