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Home > Nitro Compounds > 245125-18-2
245125-18-2 | 1,4,7,10-Tetraoxa-13-azacyclopentadecane, 13-(4-nitrophenyl)-
CAS No: 245125-18-2 Catalog No: AG002ODR MDL No:
Product Description
Catalog Number:
AG002ODR
Chemical Name:
1,4,7,10-Tetraoxa-13-azacyclopentadecane, 13-(4-nitrophenyl)-
CAS Number:
245125-18-2
Molecular Formula:
C16H24N2O6
Molecular Weight:
340.3716
IUPAC Name:
13-(4-nitrophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
InChI:
InChI=1S/C16H24N2O6/c19-18(20)16-3-1-15(2-4-16)17-5-7-21-9-11-23-13-14-24-12-10-22-8-6-17/h1-4H,5-14H2
InChI Key:
BNNXWAAIMGCPND-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)N1CCOCCOCCOCCOCC1
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.163g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.376g/mol
Monoisotopic Mass:
340.163g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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