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27704-05-8 | Benzaldehyde, m-(benzyloxy)-, 1,4-phthalazinediyldihydrazone (8CI)
CAS No: 27704-05-8 Catalog No: AG002UK5 MDL No:
Product Description
Catalog Number:
AG002UK5
Chemical Name:
Benzaldehyde, m-(benzyloxy)-, 1,4-phthalazinediyldihydrazone (8CI)
CAS Number:
27704-05-8
Molecular Formula:
C36H30N6O2
Molecular Weight:
578.6624
IUPAC Name:
1-N,4-N-bis[(3-phenylmethoxyphenyl)methylideneamino]phthalazine-1,4-diamine
InChI:
InChI=1S/C36H30N6O2/c1-3-11-27(12-4-1)25-43-31-17-9-15-29(21-31)23-37-39-35-33-19-7-8-20-34(33)36(42-41-35)40-38-24-30-16-10-18-32(22-30)44-26-28-13-5-2-6-14-28/h1-24H,25-26H2,(H,39,41)(H,40,42)
InChI Key:
JTCMORFLDJYGCC-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)COc1cccc(c1)C=NNc1nnc(c2c1cccc2)NN=Cc1cccc(c1)OCc1ccccc1
Properties
Complexity:
805
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
578.243g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
578.676g/mol
Monoisotopic Mass:
578.243g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
93A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
7.9
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