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Home > Nitro Compounds > 66750-07-0
66750-07-0 | 1,4,7,10-Tetraoxa-13-azacyclopentadecane, 13-(4-nitrosophenyl)-
CAS No: 66750-07-0 Catalog No: AG00H6FF MDL No:
Product Description
Catalog Number:
AG00H6FF
Chemical Name:
1,4,7,10-Tetraoxa-13-azacyclopentadecane, 13-(4-nitrosophenyl)-
CAS Number:
66750-07-0
Molecular Formula:
C16H24N2O5
Molecular Weight:
324.3722
IUPAC Name:
13-(4-nitrosophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
InChI:
InChI=1S/C16H24N2O5/c19-17-15-1-3-16(4-2-15)18-5-7-20-9-11-22-13-14-23-12-10-21-8-6-18/h1-4H,5-14H2
InChI Key:
BOLNOEDVSFFVIK-UHFFFAOYSA-N
SMILES:
O=Nc1ccc(cc1)N1CCOCCOCCOCCOCC1
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.169g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.377g/mol
Monoisotopic Mass:
324.169g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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