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69511-37-1 | Isoxazole, 3,4-dimethyl-5-(3-phenyl-1-triazenyl)-
CAS No: 69511-37-1 Catalog No: AG005L08 MDL No:
Product Description
Catalog Number:
AG005L08
Chemical Name:
Isoxazole, 3,4-dimethyl-5-(3-phenyl-1-triazenyl)-
CAS Number:
69511-37-1
Molecular Formula:
C11H12N4O
Molecular Weight:
216.2392
IUPAC Name:
N-[(3,4-dimethyl-1,2-oxazol-5-yl)diazenyl]aniline
InChI:
InChI=1S/C11H12N4O/c1-8-9(2)14-16-11(8)13-15-12-10-6-4-3-5-7-10/h3-7H,1-2H3,(H,12,13)
InChI Key:
NONLXXHVADENNZ-UHFFFAOYSA-N
SMILES:
Cc1noc(c1C)N=NNc1ccccc1
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.101g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.244g/mol
Monoisotopic Mass:
216.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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