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Home > Nitro Compounds > 73150-61-5
73150-61-5 | 1,3-Dioxepin, 4,7-dihydro-2-(4-nitrophenyl)-
CAS No: 73150-61-5 Catalog No: AG005FVD MDL No:
Product Description
Catalog Number:
AG005FVD
Chemical Name:
1,3-Dioxepin, 4,7-dihydro-2-(4-nitrophenyl)-
CAS Number:
73150-61-5
Molecular Formula:
C11H11NO4
Molecular Weight:
221.2093
IUPAC Name:
2-(4-nitrophenyl)-4,7-dihydro-1,3-dioxepine
InChI:
InChI=1S/C11H11NO4/c13-12(14)10-5-3-9(4-6-10)11-15-7-1-2-8-16-11/h1-6,11H,7-8H2
InChI Key:
KXCNHOYLPYRFPT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C1OCC=CCO1
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.212g/mol
Monoisotopic Mass:
221.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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