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115084-37-2 | 1H-Indole, 1-(6-bromohexyl)-5-methoxy-2-(4-methoxyphenyl)-3-methyl-
CAS No: 115084-37-2 Catalog No: AG000FVK MDL No:
Product Description
Catalog Number:
AG000FVK
Chemical Name:
1H-Indole, 1-(6-bromohexyl)-5-methoxy-2-(4-methoxyphenyl)-3-methyl-
CAS Number:
115084-37-2
Molecular Formula:
C23H28BrNO2
Molecular Weight:
430.3779
IUPAC Name:
1-(6-bromohexyl)-5-methoxy-2-(4-methoxyphenyl)-3-methylindole
InChI:
InChI=1S/C23H28BrNO2/c1-17-21-16-20(27-3)12-13-22(21)25(15-7-5-4-6-14-24)23(17)18-8-10-19(26-2)11-9-18/h8-13,16H,4-7,14-15H2,1-3H3
InChI Key:
VOBVLURSGZKJRT-UHFFFAOYSA-N
SMILES:
BrCCCCCCn1c2ccc(cc2c(c1c1ccc(cc1)OC)C)OC
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
429.13g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
430.386g/mol
Monoisotopic Mass:
429.13g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
23.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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