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7249-57-2 | benzonitrile, 2-((4-(bis(2-(acetyloxy)ethyl)amino)-2-methylphenyl)azo)-5-nitro-
CAS No: 7249-57-2 Catalog No: AG005GXS MDL No:
Product Description
Catalog Number:
AG005GXS
Chemical Name:
benzonitrile, 2-((4-(bis(2-(acetyloxy)ethyl)amino)-2-methylphenyl)azo)-5-nitro-
CAS Number:
7249-57-2
Molecular Formula:
C22H23N5O6
Molecular Weight:
453.4479
IUPAC Name:
1,10,10-trimethyl-3-oxido-4-oxa-5-aza-3-azoniatricyclo[5.2.1.02,6]deca-2,5-diene
InChI:
InChI=1S/C10H14N2O2/c1-9(2)6-4-5-10(9,3)8-7(6)11-14-12(8)13/h6H,4-5H2,1-3H3
InChI Key:
PGNDZJNONQQNSV-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1N=Nc1ccc(cc1C)N(CCOC(=O)C)CCOC(=O)C)[N+](=O)[O-]
NSC Number:
53387
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.106g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.234g/mol
Monoisotopic Mass:
194.106g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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