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102192-66-5 | Benzaldehyde, 2-[7-chloro-3,4,9,10-tetrahydro-10-hydroxy-9-oxo-3-[4-(trifluoromethyl)phenyl]-1(2H)-acridinylidene]hydrazone
CAS No: 102192-66-5 Catalog No: AG0006VL MDL No:
Product Description
Catalog Number:
AG0006VL
Chemical Name:
Benzaldehyde, 2-[7-chloro-3,4,9,10-tetrahydro-10-hydroxy-9-oxo-3-[4-(trifluoromethyl)phenyl]-1(2H)-acridinylidene]hydrazone
CAS Number:
102192-66-5
Molecular Formula:
C27H19ClF3N3O2
Molecular Weight:
509.9069
IUPAC Name:
1-(benzylidenehydrazinylidene)-7-chloro-10-hydroxy-3-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-acridin-9-one
InChI:
InChI=1S/C27H19ClF3N3O2/c28-20-10-11-23-21(14-20)26(35)25-22(33-32-15-16-4-2-1-3-5-16)12-18(13-24(25)34(23)36)17-6-8-19(9-7-17)27(29,30)31/h1-11,14-15,18,36H,12-13H2
InChI Key:
PLUADBLQIDDLSZ-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(=O)c1c(n2O)CC(CC1=NN=Cc1ccccc1)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
920
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
509.112g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
509.913g/mol
Monoisotopic Mass:
509.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
2
XLogP3:
5.4
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