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89764-90-9 | Benzene, 1-[4-(4-chlorophenyl)-4,5-dimethylhexyl]-3-phenoxy-
CAS No: 89764-90-9 Catalog No: AG004036 MDL No:
Product Description
Catalog Number:
AG004036
Chemical Name:
Benzene, 1-[4-(4-chlorophenyl)-4,5-dimethylhexyl]-3-phenoxy-
CAS Number:
89764-90-9
Molecular Formula:
C26H29ClO
Molecular Weight:
392.9609
IUPAC Name:
1-chloro-4-[2,3-dimethyl-6-(3-phenoxyphenyl)hexan-3-yl]benzene
InChI:
InChI=1S/C26H29ClO/c1-20(2)26(3,22-14-16-23(27)17-15-22)18-8-10-21-9-7-13-25(19-21)28-24-11-5-4-6-12-24/h4-7,9,11-17,19-20H,8,10,18H2,1-3H3
InChI Key:
CXXPYTQLPCPYDZ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(C(C)C)(CCCc1cccc(c1)Oc1ccccc1)C
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.191g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
392.967g/mol
Monoisotopic Mass:
392.191g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
9
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