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89764-57-8 | Benzene, 1-[4-(4-chlorophenyl)-5-methylhexyl]-3-phenoxy-
CAS No: 89764-57-8 Catalog No: AG0040MI MDL No:
Product Description
Catalog Number:
AG0040MI
Chemical Name:
Benzene, 1-[4-(4-chlorophenyl)-5-methylhexyl]-3-phenoxy-
CAS Number:
89764-57-8
Molecular Formula:
C25H27ClO
Molecular Weight:
378.9343
IUPAC Name:
1-chloro-4-[2-methyl-6-(3-phenoxyphenyl)hexan-3-yl]benzene
InChI:
InChI=1S/C25H27ClO/c1-19(2)25(21-14-16-22(26)17-15-21)13-7-9-20-8-6-12-24(18-20)27-23-10-4-3-5-11-23/h3-6,8,10-12,14-19,25H,7,9,13H2,1-2H3
InChI Key:
VZDBFKGBOCAVEC-UHFFFAOYSA-N
SMILES:
CC(C(c1ccc(cc1)Cl)CCCc1cccc(c1)Oc1ccccc1)C
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.175g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.94g/mol
Monoisotopic Mass:
378.175g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5
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