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82211-91-4 | 1H-Indole, 3-[[4-(2,6-dichlorophenyl)-1-piperidinyl]methyl]-
CAS No: 82211-91-4 Catalog No: AG005H6F MDL No:
Product Description
Catalog Number:
AG005H6F
Chemical Name:
1H-Indole, 3-[[4-(2,6-dichlorophenyl)-1-piperidinyl]methyl]-
CAS Number:
82211-91-4
Molecular Formula:
C20H20Cl2N2
Molecular Weight:
359.2922
IUPAC Name:
3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1H-indole
InChI:
InChI=1S/C20H20Cl2N2/c21-17-5-3-6-18(22)20(17)14-8-10-24(11-9-14)13-15-12-23-19-7-2-1-4-16(15)19/h1-7,12,14,23H,8-11,13H2
InChI Key:
YPICVTZBXDBMBE-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1C1CCN(CC1)Cc1c[nH]c2c1cccc2)Cl
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.1g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
359.294g/mol
Monoisotopic Mass:
358.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
19A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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