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79888-96-3 | 2H-Pyran, 6-(4-chlorophenyl)-2-methoxy-3-methyl-2,4-diphenyl-
CAS No: 79888-96-3 Catalog No: AG004ZE7 MDL No:
Product Description
Catalog Number:
AG004ZE7
Chemical Name:
2H-Pyran, 6-(4-chlorophenyl)-2-methoxy-3-methyl-2,4-diphenyl-
CAS Number:
79888-96-3
Molecular Formula:
C25H21ClO2
Molecular Weight:
388.8860
IUPAC Name:
6-(4-chlorophenyl)-2-methoxy-3-methyl-2,4-diphenylpyran
InChI:
InChI=1S/C25H21ClO2/c1-18-23(19-9-5-3-6-10-19)17-24(20-13-15-22(26)16-14-20)28-25(18,27-2)21-11-7-4-8-12-21/h3-17H,1-2H3
InChI Key:
BJECOBXRRXOFRX-UHFFFAOYSA-N
SMILES:
COC1(OC(=CC(=C1C)c1ccccc1)c1ccc(cc1)Cl)c1ccccc1
Properties
Complexity:
590
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.123g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
388.891g/mol
Monoisotopic Mass:
388.123g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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