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Home Nitros N-Butyl-3-nitrobenzamide

N-Butyl-3-nitrobenzamide

CAS No.:
70001-47-7
Catalog Number:
AG005GKU
Molecular Formula:
C11H14N2O3
Molecular Weight:
222.2405
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$100
- +
5g
98%
In Stock USA
United States
$300
- +
10g
98%
In Stock USA
United States
$525
- +
Product Description
Catalog Number:
AG005GKU
Chemical Name:
N-Butyl-3-nitrobenzamide
CAS Number:
70001-47-7
Molecular Formula:
C11H14N2O3
Molecular Weight:
222.2405
MDL Number:
MFCD00458983
IUPAC Name:
N-butyl-3-nitrobenzamide
InChI:
InChI=1S/C11H14N2O3/c1-2-3-7-12-11(14)9-5-4-6-10(8-9)13(15)16/h4-6,8H,2-3,7H2,1H3,(H,12,14)
InChI Key:
PLKPLRMLCSBJKV-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)c1cccc(c1)[N+](=O)[O-]
NSC Number:
406579
Properties
Complexity:
250  
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:
2.2  
Literature
Title Journal
Charge-transfer interaction between poly(9-vinylcarbazole) and 3,5-dinitrobenzamido group or 3-nitrobenzamido group. Langmuir : the ACS journal of surfaces and colloids 20100302
Properties