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80844-04-8 | 1,2-dichloro-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]benzene
CAS No: 80844-04-8 Catalog No: AG0057L7 MDL No:
Product Description
Catalog Number:
AG0057L7
Chemical Name:
1,2-dichloro-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]benzene
CAS Number:
80844-04-8
Molecular Formula:
C24H24Cl2O2
Molecular Weight:
415.3522
IUPAC Name:
1,2-dichloro-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]benzene
InChI:
InChI=1S/C24H24Cl2O2/c1-3-24(2,19-12-13-22(25)23(26)15-19)17-27-16-18-8-7-11-21(14-18)28-20-9-5-4-6-10-20/h4-15H,3,16-17H2,1-2H3
InChI Key:
UPXSOQYAYJCLOD-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(c(c1)Cl)Cl)(COCc1cccc(c1)Oc1ccccc1)C
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.115g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
415.354g/mol
Monoisotopic Mass:
414.115g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3
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