sales@angenesci.com
Login | Register
logo
Structures Search
Home Nitros 1-(tert-Butyl)-4-nitrobenzene

1-(tert-Butyl)-4-nitrobenzene

CAS No.:
3282-56-2
Catalog Number:
AG003ENQ
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$53
- +
5g
95%
1 week
United States
$73
- +
25g
95%
1 week
United States
$142
- +
100g
95%
1 week
United States
$378
- +
Product Description
Catalog Number:
AG003ENQ
Chemical Name:
1-(tert-Butyl)-4-nitrobenzene
CAS Number:
3282-56-2
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD00041253
IUPAC Name:
1-tert-butyl-4-nitrobenzene
InChI:
InChI=1S/C10H13NO2/c1-10(2,3)8-4-6-9(7-5-8)11(12)13/h4-7H,1-3H3
InChI Key:
XSCPVQNNFLHGHY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C(C)(C)C
EC Number:
221-922-1
NSC Number:
43040
Properties
Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Literature
Title Journal
Binding of alkylphenols and alkylated non-phenolics to the rainbow trout (Oncorhynchus mykiss) plasma sex steroid-binding protein. Ecotoxicology and environmental safety 20070901
Estrogenic effects of environmental chemicals: an interspecies comparison. Comparative biochemistry and physiology. Toxicology & pharmacology : CBP 20050701
Properties