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Home > Nitro Compounds > 78554-67-3
78554-67-3 | 4'-Nitrobenzo-12-crown-4
CAS No: 78554-67-3 Catalog No: AG00G3MY MDL No:
Product Description
Catalog Number:
AG00G3MY
Chemical Name:
4'-Nitrobenzo-12-crown-4
CAS Number:
78554-67-3
IUPAC Name:
14-nitro-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene
InChI:
InChI=1S/C12H15NO6/c14-13(15)10-1-2-11-12(9-10)19-8-6-17-4-3-16-5-7-18-11/h1-2,9H,3-8H2
InChI Key:
UUQRTEFANVWPTD-UHFFFAOYSA-N
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.253g/mol
Monoisotopic Mass:
269.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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