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Home Aminos 7-Benzylamino-4-nitrobenz-2-oxa-1,3-diazole

7-Benzylamino-4-nitrobenz-2-oxa-1,3-diazole

CAS No.:
18378-20-6
Catalog Number:
AG003NDB
Molecular Formula:
C13H10N4O3
Molecular Weight:
270.2435
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
In Stock USA
United States
$88
- +
1g
96%
In Stock USA
United States
$248
- +
5g
96%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG003NDB
Chemical Name:
7-Benzylamino-4-nitrobenz-2-oxa-1,3-diazole
CAS Number:
18378-20-6
Molecular Formula:
C13H10N4O3
Molecular Weight:
270.2435
MDL Number:
MFCD00038006
IUPAC Name:
N-benzyl-4-nitro-2,1,3-benzoxadiazol-7-amine
InChI:
InChI=1S/C13H10N4O3/c18-17(19)11-7-6-10(12-13(11)16-20-15-12)14-8-9-4-2-1-3-5-9/h1-7,14H,8H2
InChI Key:
GZFKJMWBKTUNJS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c2c1non2)NCc1ccccc1
EC Number:
242-261-5
NSC Number:
240867
Properties
Complexity:
343  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.075g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
270.248g/mol
Monoisotopic Mass:
270.075g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
96.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Dynamics of 4-benzylamino-7-nitrobenzofurazan in the 1-propanol/water binary solvent system. Evidence for composition-dependent solvent organization. The journal of physical chemistry. A 20060316
Properties