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88321-61-3 | Pyridine, 3-[([1,1'-biphenyl]-4-ylmethoxy)phenylmethyl]-
CAS No: 88321-61-3 Catalog No: AG0048BT MDL No:
Product Description
Catalog Number:
AG0048BT
Chemical Name:
Pyridine, 3-[([1,1'-biphenyl]-4-ylmethoxy)phenylmethyl]-
CAS Number:
88321-61-3
Molecular Formula:
C25H21NO
Molecular Weight:
351.4403
IUPAC Name:
3-[phenyl-[(4-phenylphenyl)methoxy]methyl]pyridine
InChI:
InChI=1S/C25H21NO/c1-3-8-21(9-4-1)22-15-13-20(14-16-22)19-27-25(23-10-5-2-6-11-23)24-12-7-17-26-18-24/h1-18,25H,19H2
InChI Key:
YTMRHPRCZHPTGS-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1ccc(cc1)COC(c1cccnc1)c1ccccc1
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.162g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.449g/mol
Monoisotopic Mass:
351.162g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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