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80843-82-9 | 3-(4-BROMOPHENOXY)BENZYL 2-(4-DIFLUOROMETHOXYPHENYL)-2-METHYLPROPYL ET HER
CAS No: 80843-82-9 Catalog No: AG00516V MDL No:
Product Description
Catalog Number:
AG00516V
Chemical Name:
3-(4-BROMOPHENOXY)BENZYL 2-(4-DIFLUOROMETHOXYPHENYL)-2-METHYLPROPYL ET HER
CAS Number:
80843-82-9
Molecular Formula:
C24H23BrF2O3
Molecular Weight:
477.3384
IUPAC Name:
1-bromo-4-[3-[[2-[4-(difluoromethoxy)phenyl]-2-methylpropoxy]methyl]phenoxy]benzene
InChI:
InChI=1S/C24H23BrF2O3/c1-24(2,18-6-10-21(11-7-18)30-23(26)27)16-28-15-17-4-3-5-22(14-17)29-20-12-8-19(25)9-13-20/h3-14,23H,15-16H2,1-2H3
InChI Key:
DGWRUCQPODLNOO-UHFFFAOYSA-N
SMILES:
FC(Oc1ccc(cc1)C(COCc1cccc(c1)Oc1ccc(cc1)Br)(C)C)F
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
476.08g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
477.346g/mol
Monoisotopic Mass:
476.08g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3
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