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89023-14-3 | Benzoic acid, 4-propoxy-, 4-[[(4-chlorophenyl)imino]methyl]phenyl ester
CAS No: 89023-14-3 Catalog No: AG0042RW MDL No:
Product Description
Catalog Number:
AG0042RW
Chemical Name:
Benzoic acid, 4-propoxy-, 4-[[(4-chlorophenyl)imino]methyl]phenyl ester
CAS Number:
89023-14-3
Molecular Formula:
C23H20ClNO3
Molecular Weight:
393.8628
IUPAC Name:
[4-[(4-chlorophenyl)iminomethyl]phenyl] 4-propoxybenzoate
InChI:
InChI=1S/C23H20ClNO3/c1-2-15-27-21-13-5-18(6-14-21)23(26)28-22-11-3-17(4-12-22)16-25-20-9-7-19(24)8-10-20/h3-14,16H,2,15H2,1H3
InChI Key:
YOSVSQXVDIJJCZ-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)C=Nc1ccc(cc1)Cl
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.113g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
393.867g/mol
Monoisotopic Mass:
393.113g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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