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89685-36-9 | Benzoic acid, 4-[([1,1'-biphenyl]-4-ylmethylene)amino]-, propyl ester
CAS No: 89685-36-9 Catalog No: AG0044HE MDL No:
Product Description
Catalog Number:
AG0044HE
Chemical Name:
Benzoic acid, 4-[([1,1'-biphenyl]-4-ylmethylene)amino]-, propyl ester
CAS Number:
89685-36-9
Molecular Formula:
C23H21NO2
Molecular Weight:
343.4183
IUPAC Name:
propyl 4-[(4-phenylphenyl)methylideneamino]benzoate
InChI:
InChI=1S/C23H21NO2/c1-2-16-26-23(25)21-12-14-22(15-13-21)24-17-18-8-10-20(11-9-18)19-6-4-3-5-7-19/h3-15,17H,2,16H2,1H3
InChI Key:
QCWYLTILOXDIQZ-UHFFFAOYSA-N
SMILES:
CCCOC(=O)c1ccc(cc1)N=Cc1ccc(cc1)c1ccccc1
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.157g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.426g/mol
Monoisotopic Mass:
343.157g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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