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Home > Nitro Compounds > 53408-96-1
53408-96-1 | 4-NITROBENZO-18-CROWN-6
CAS No: 53408-96-1 Catalog No: AG003LVA MDL No:MFCD00143207
Product Description
Catalog Number:
AG003LVA
Chemical Name:
4-NITROBENZO-18-CROWN-6
CAS Number:
53408-96-1
MDL Number:
MFCD00143207
IUPAC Name:
20-nitro-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
InChI:
InChI=1S/C16H23NO8/c18-17(19)14-1-2-15-16(13-14)25-12-10-23-8-6-21-4-3-20-5-7-22-9-11-24-15/h1-2,13H,3-12H2
InChI Key:
LQXOKBZWNFJJGI-UHFFFAOYSA-N
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.142g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
357.359g/mol
Monoisotopic Mass:
357.142g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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