Home Nitros 1-Sec-butyl-4-nitrobenzene

1-Sec-butyl-4-nitrobenzene

CAS No.:
4237-40-5
Catalog Number:
AG003ENK
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$112
- +
5g
>97.0%(GC)
1 week
United States
$210
- +
25g
>97.0%(GC)
1 week
United States
$516
- +
Product Description
Catalog Number:
AG003ENK
Chemical Name:
1-Sec-butyl-4-nitrobenzene
CAS Number:
4237-40-5
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD00130025
IUPAC Name:
1-butan-2-yl-4-nitrobenzene
InChI:
InChI=1S/C10H13NO2/c1-3-8(2)9-4-6-10(7-5-9)11(12)13/h4-8H,3H2,1-2H3
InChI Key:
IQRMCUYGEZOTSV-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(cc1)[N+](=O)[O-])C
EC Number:
224-196-4
Properties
Complexity:
168  
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:
2  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties