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139412-05-8 | Ethanone, 1-[4-[3-[(phenylazo)phenyl]-1-triazenyl]phenyl]- (9CI)
CAS No: 139412-05-8 Catalog No: AG001AZA MDL No:
Product Description
Catalog Number:
AG001AZA
Chemical Name:
Ethanone, 1-[4-[3-[(phenylazo)phenyl]-1-triazenyl]phenyl]- (9CI)
CAS Number:
139412-05-8
Molecular Formula:
C20H17N5O
Molecular Weight:
343.3819
IUPAC Name:
1-[4-[2-(2-phenyldiazenylphenyl)iminohydrazinyl]phenyl]ethanone
InChI:
InChI=1S/C20H17N5O/c1-15(26)16-11-13-18(14-12-16)22-25-24-20-10-6-5-9-19(20)23-21-17-7-3-2-4-8-17/h2-14H,1H3,(H,22,24)
InChI Key:
UABPVTVKLGCJLW-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(cc1)N=NNc1ccccc1N=Nc1ccccc1
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.143g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.39g/mol
Monoisotopic Mass:
343.143g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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