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89023-23-4 | Benzoic acid, 4-methoxy-, 4-[[(2-chlorophenyl)imino]methyl]phenyl ester
CAS No: 89023-23-4 Catalog No: AG0042RV MDL No:
Product Description
Catalog Number:
AG0042RV
Chemical Name:
Benzoic acid, 4-methoxy-, 4-[[(2-chlorophenyl)imino]methyl]phenyl ester
CAS Number:
89023-23-4
Molecular Formula:
C21H16ClNO3
Molecular Weight:
365.8096
IUPAC Name:
[4-[(2-chlorophenyl)iminomethyl]phenyl] 4-methoxybenzoate
InChI:
InChI=1S/C21H16ClNO3/c1-25-17-12-8-16(9-13-17)21(24)26-18-10-6-15(7-11-18)14-23-20-5-3-2-4-19(20)22/h2-14H,1H3
InChI Key:
SUVQTXDRXSNQPH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)Oc1ccc(cc1)C=Nc1ccccc1Cl
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.082g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.813g/mol
Monoisotopic Mass:
365.082g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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