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176794-25-5

176794-25-5 | 1H-Imidazole, 5-[4-(3,3-dimethyl-1-triazen-1-yl)-3-nitrophenyl]-

CAS No: 176794-25-5 Catalog No: AG0024WS MDL No:

Product Description

Catalog Number:
AG0024WS
Chemical Name:
1H-Imidazole, 5-[4-(3,3-dimethyl-1-triazen-1-yl)-3-nitrophenyl]-
CAS Number:
176794-25-5
Molecular Formula:
C11H12N6O2
Molecular Weight:
260.2520
IUPAC Name:
N-[[4-(1H-imidazol-5-yl)-2-nitrophenyl]diazenyl]-N-methylmethanamine
InChI:
InChI=1S/C11H12N6O2/c1-16(2)15-14-9-4-3-8(5-11(9)17(18)19)10-6-12-7-13-10/h3-7H,1-2H3,(H,12,13)
InChI Key:
XSIBAZCNHSPJNN-UHFFFAOYSA-N
SMILES:
CN(N=Nc1ccc(cc1[N+](=O)[O-])c1cnc[nH]1)C

Properties

Complexity:
343  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.102g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
260.257g/mol
Monoisotopic Mass:
260.102g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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