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Home Nitros 2,4,6-Tri-tert-butylnitrobenzene

2,4,6-Tri-tert-butylnitrobenzene

CAS No.:
4074-25-3
Catalog Number:
AG003FOF
Molecular Formula:
C18H29NO2
Molecular Weight:
291.4284
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
99%
1 week
United States
$67
- +
1g
99%
1 week
United States
$96
- +
5g
>95.0%(GC)
1 week
United States
$194
- +
25g
>95.0%(GC)
1 week
United States
$559
- +
Product Description
Catalog Number:
AG003FOF
Chemical Name:
2,4,6-Tri-tert-butylnitrobenzene
CAS Number:
4074-25-3
Molecular Formula:
C18H29NO2
Molecular Weight:
291.4284
MDL Number:
MFCD00008818
IUPAC Name:
1,3,5-tritert-butyl-2-nitrobenzene
InChI:
InChI=1S/C18H29NO2/c1-16(2,3)12-10-13(17(4,5)6)15(19(20)21)14(11-12)18(7,8)9/h10-11H,1-9H3
InChI Key:
IMDZOFHRUMJNQR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C
EC Number:
223-789-5
Properties
Complexity:
352  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.22g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.435g/mol
Monoisotopic Mass:
291.22g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8  
Literature
Title Journal
A solid-state nitrogen-15 NMR and ab initio study of nitrobenzenes. The Journal of organic chemistry 20030530
Properties