Home Nitriles 4-(t-Butylamino)-3-nitrobenzonitrile

4-(t-Butylamino)-3-nitrobenzonitrile

CAS No.:
320406-01-7
Catalog Number:
AG00CLNJ
Molecular Formula:
C11H13N3O2
Molecular Weight:
219.2398
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$225
- +
10g
98%
In Stock USA
United States
$350
- +
25g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG00CLNJ
Chemical Name:
4-(t-Butylamino)-3-nitrobenzonitrile
CAS Number:
320406-01-7
Molecular Formula:
C11H13N3O2
Molecular Weight:
219.2398
MDL Number:
MFCD03551828
IUPAC Name:
4-(tert-butylamino)-3-nitrobenzonitrile
InChI:
InChI=1S/C11H13N3O2/c1-11(2,3)13-9-5-4-8(7-12)6-10(9)14(15)16/h4-6,13H,1-3H3
InChI Key:
GHVJGWCXLNQJJH-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)[N+](=O)[O-])NC(C)(C)C
Properties
Complexity:
307  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.101g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.244g/mol
Monoisotopic Mass:
219.101g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
81.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties