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27702-20-1 | Benzaldehyde, 4-chloro-, 1,4-phthalazinediyldihydrazone (9CI)
CAS No: 27702-20-1 Catalog No: AG002UJD MDL No:
Product Description
Catalog Number:
AG002UJD
Chemical Name:
Benzaldehyde, 4-chloro-, 1,4-phthalazinediyldihydrazone (9CI)
CAS Number:
27702-20-1
Molecular Formula:
C22H16Cl2N6
Molecular Weight:
435.3086
IUPAC Name:
1-N,4-N-bis[(4-chlorophenyl)methylideneamino]phthalazine-1,4-diamine
InChI:
InChI=1S/C22H16Cl2N6/c23-17-9-5-15(6-10-17)13-25-27-21-19-3-1-2-4-20(19)22(30-29-21)28-26-14-16-7-11-18(24)12-8-16/h1-14H,(H,27,29)(H,28,30)
InChI Key:
MFKLZVQXLMLDEA-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C=NNc1nnc(c2c1cccc2)NN=Cc1ccc(cc1)Cl
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
434.081g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
435.312g/mol
Monoisotopic Mass:
434.081g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
6.3
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