Home Nitros 1-tert-Butyl-2-nitrobenzene

1-tert-Butyl-2-nitrobenzene

CAS No.:
1886-57-3
Catalog Number:
AG002H22
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$196
- +
5g
95%
1 week
United States
$514
- +
Product Description
Catalog Number:
AG002H22
Chemical Name:
1-tert-Butyl-2-nitrobenzene
CAS Number:
1886-57-3
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD00082705
IUPAC Name:
1-tert-butyl-2-nitrobenzene
InChI:
InChI=1S/C10H13NO2/c1-10(2,3)8-6-4-5-7-9(8)11(12)13/h4-7H,1-3H3
InChI Key:
IWTHGPTVKBEURV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1C(C)(C)C
EC Number:
217-554-6
NSC Number:
43039
Properties
Complexity:
190  
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:
3.6  
Properties