Home Nitros 4-Bromo-N-butyl-5-ethoxy-2-nitroaniline

4-Bromo-N-butyl-5-ethoxy-2-nitroaniline

CAS No.:
1280786-89-1
Catalog Number:
AG000XSD
Molecular Formula:
C12H17BrN2O3
Molecular Weight:
317.1790
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$62
- +
5g
97%
In Stock USA
United States
$188
- +
25g
97%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG000XSD
Chemical Name:
4-Bromo-N-butyl-5-ethoxy-2-nitroaniline
CAS Number:
1280786-89-1
Molecular Formula:
C12H17BrN2O3
Molecular Weight:
317.1790
MDL Number:
MFCD18783111
IUPAC Name:
4-bromo-N-butyl-5-ethoxy-2-nitroaniline
InChI:
InChI=1S/C12H17BrN2O3/c1-3-5-6-14-10-8-12(18-4-2)9(13)7-11(10)15(16)17/h7-8,14H,3-6H2,1-2H3
InChI Key:
RIJGVEMBLMAOLV-UHFFFAOYSA-N
SMILES:
CCCCNc1cc(OCC)c(cc1[N+](=O)[O-])Br
Properties
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.042g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
317.183g/mol
Monoisotopic Mass:
316.042g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Properties