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89764-88-5 | Benzene, 1-[4-(4-bromophenyl)-4-methylpentyl]-3-phenoxy-
CAS No: 89764-88-5 Catalog No: AG003ZPM MDL No:
Product Description
Catalog Number:
AG003ZPM
Chemical Name:
Benzene, 1-[4-(4-bromophenyl)-4-methylpentyl]-3-phenoxy-
CAS Number:
89764-88-5
Molecular Formula:
C24H25BrO
Molecular Weight:
409.3587
IUPAC Name:
1-bromo-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene
InChI:
InChI=1S/C24H25BrO/c1-24(2,20-13-15-21(25)16-14-20)17-7-9-19-8-6-12-23(18-19)26-22-10-4-3-5-11-22/h3-6,8,10-16,18H,7,9,17H2,1-2H3
InChI Key:
MOSDJOYAISEHMN-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(CCCc1cccc(c1)Oc1ccccc1)(C)C
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.109g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
409.367g/mol
Monoisotopic Mass:
408.109g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3
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