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89023-24-5 | Benzoic acid, 4-ethoxy-, 4-[[(2-chlorophenyl)imino]methyl]phenyl ester
CAS No: 89023-24-5 Catalog No: AG0044CJ MDL No:
Product Description
Catalog Number:
AG0044CJ
Chemical Name:
Benzoic acid, 4-ethoxy-, 4-[[(2-chlorophenyl)imino]methyl]phenyl ester
CAS Number:
89023-24-5
Molecular Formula:
C22H18ClNO3
Molecular Weight:
379.8362
IUPAC Name:
[4-[(2-chlorophenyl)iminomethyl]phenyl] 4-ethoxybenzoate
InChI:
InChI=1S/C22H18ClNO3/c1-2-26-18-13-9-17(10-14-18)22(25)27-19-11-7-16(8-12-19)15-24-21-6-4-3-5-20(21)23/h3-15H,2H2,1H3
InChI Key:
UOPBEYSUVDPIAM-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)C(=O)Oc1ccc(cc1)C=Nc1ccccc1Cl
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.098g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
379.84g/mol
Monoisotopic Mass:
379.098g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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