Home Nitros 1,3-Di-tert-butyl-5-nitrobenzene

1,3-Di-tert-butyl-5-nitrobenzene

CAS No.:
38896-15-0
Catalog Number:
AG01EVS4
Molecular Formula:
C14H21NO2
Molecular Weight:
235.3220
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
1 week
United States
$163
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Product Description
Catalog Number:
AG01EVS4
Chemical Name:
1,3-Di-tert-butyl-5-nitrobenzene
CAS Number:
38896-15-0
Molecular Formula:
C14H21NO2
Molecular Weight:
235.3220
MDL Number:
MFCD00964178
IUPAC Name:
1,3-ditert-butyl-5-nitrobenzene
InChI:
InChI=1S/C14H21NO2/c1-13(2,3)10-7-11(14(4,5)6)9-12(8-10)15(16)17/h7-9H,1-6H3
InChI Key:
LUYJFRAXBOUNPV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1)C(C)(C)C)C(C)(C)C
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.157g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.327g/mol
Monoisotopic Mass:
235.157g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1  
Properties