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80843-78-3 | 1-((2-(4-CHLOROPHENYL)-2-METHYLPROPOXY)METHYL)-3-(3-METHYLPHENOXY)BENZ ENE
CAS No: 80843-78-3 Catalog No: AG00516W MDL No:
Product Description
Catalog Number:
AG00516W
Chemical Name:
1-((2-(4-CHLOROPHENYL)-2-METHYLPROPOXY)METHYL)-3-(3-METHYLPHENOXY)BENZ ENE
CAS Number:
80843-78-3
Molecular Formula:
C24H25ClO2
Molecular Weight:
380.9071
IUPAC Name:
1-chloro-4-[2-methyl-1-[[3-(3-methylphenoxy)phenyl]methoxy]propan-2-yl]benzene
InChI:
InChI=1S/C24H25ClO2/c1-18-6-4-8-22(14-18)27-23-9-5-7-19(15-23)16-26-17-24(2,3)20-10-12-21(25)13-11-20/h4-15H,16-17H2,1-3H3
InChI Key:
FAHLQQQDCGUYAA-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(COCc1cccc(c1)Oc1cccc(c1)C)(C)C
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.154g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.912g/mol
Monoisotopic Mass:
380.154g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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