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83123-66-4 | 3-Pyridinecarboxylicacid, 6-[4-[(4-chlorophenyl)methoxy]phenyl]hexyl ester
CAS No: 83123-66-4 Catalog No: AG00511V MDL No:
Product Description
Catalog Number:
AG00511V
Chemical Name:
3-Pyridinecarboxylicacid, 6-[4-[(4-chlorophenyl)methoxy]phenyl]hexyl ester
CAS Number:
83123-66-4
Molecular Formula:
C25H26ClNO3
Molecular Weight:
423.9318
IUPAC Name:
6-[4-[(4-chlorophenyl)methoxy]phenyl]hexyl pyridine-3-carboxylate
InChI:
InChI=1S/C25H26ClNO3/c26-23-12-8-21(9-13-23)19-30-24-14-10-20(11-15-24)6-3-1-2-4-17-29-25(28)22-7-5-16-27-18-22/h5,7-16,18H,1-4,6,17,19H2
InChI Key:
TUPVCDRBWRUKLT-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)COc1ccc(cc1)CCCCCCOC(=O)c1cccnc1
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.16g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
423.937g/mol
Monoisotopic Mass:
423.16g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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