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115119-04-5 | 1H-Indole, 1-(4-bromobutyl)-5-methoxy-2-(4-methoxyphenyl)-3-methyl-
CAS No: 115119-04-5 Catalog No: AG000GBK MDL No:
Product Description
Catalog Number:
AG000GBK
Chemical Name:
1H-Indole, 1-(4-bromobutyl)-5-methoxy-2-(4-methoxyphenyl)-3-methyl-
CAS Number:
115119-04-5
Molecular Formula:
C21H24BrNO2
Molecular Weight:
402.3248
IUPAC Name:
1-(4-bromobutyl)-5-methoxy-2-(4-methoxyphenyl)-3-methylindole
InChI:
InChI=1S/C21H24BrNO2/c1-15-19-14-18(25-3)10-11-20(19)23(13-5-4-12-22)21(15)16-6-8-17(24-2)9-7-16/h6-11,14H,4-5,12-13H2,1-3H3
InChI Key:
FLZDQZBLQSTLLK-UHFFFAOYSA-N
SMILES:
BrCCCCn1c2ccc(cc2c(c1c1ccc(cc1)OC)C)OC
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.099g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
402.332g/mol
Monoisotopic Mass:
401.099g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
23.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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