Home Nitros N-Butyl-4-nitrobenzamide

N-Butyl-4-nitrobenzamide

CAS No.:
51207-98-8
Catalog Number:
AG00DISC
Molecular Formula:
C11H14N2O3
Molecular Weight:
222.2405
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$110
- +
5g
98%
In Stock USA
United States
$360
- +
Product Description
Catalog Number:
AG00DISC
Chemical Name:
N-Butyl-4-nitrobenzamide
CAS Number:
51207-98-8
Molecular Formula:
C11H14N2O3
Molecular Weight:
222.2405
MDL Number:
MFCD00157824
IUPAC Name:
N-butyl-4-nitrobenzamide
InChI:
InChI=1S/C11H14N2O3/c1-2-3-8-12-11(14)9-4-6-10(7-5-9)13(15)16/h4-7H,2-3,8H2,1H3,(H,12,14)
InChI Key:
ZPYLRHGQFFDNOH-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)c1ccc(cc1)[N+](=O)[O-]
NSC Number:
406854
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.1g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.244g/mol
Monoisotopic Mass:
222.1g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties