Home Nitros 1-tert-Butyl-4-(4-nitrophenyl)benzene

1-tert-Butyl-4-(4-nitrophenyl)benzene

CAS No.:
279242-11-4
Catalog Number:
AG00BIBJ
Molecular Formula:
C16H17NO2
Molecular Weight:
255.3117
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$75
- +
5g
95%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG00BIBJ
Chemical Name:
1-tert-Butyl-4-(4-nitrophenyl)benzene
CAS Number:
279242-11-4
Molecular Formula:
C16H17NO2
Molecular Weight:
255.3117
MDL Number:
MFCD03700807
IUPAC Name:
1-tert-butyl-4-(4-nitrophenyl)benzene
InChI:
InChI=1S/C16H17NO2/c1-16(2,3)14-8-4-12(5-9-14)13-6-10-15(11-7-13)17(18)19/h4-11H,1-3H3
InChI Key:
TYABARRZSWMSHQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.126g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.317g/mol
Monoisotopic Mass:
255.126g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5  
Properties