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88654-50-6 | Piperidine, 4-[4-(4-bromophenyl)-2-thiazolyl]-1-ethyl-, hydrobromide
CAS No: 88654-50-6 Catalog No: AG0048Z0 MDL No:
Product Description
Catalog Number:
AG0048Z0
Chemical Name:
Piperidine, 4-[4-(4-bromophenyl)-2-thiazolyl]-1-ethyl-, hydrobromide
CAS Number:
88654-50-6
Molecular Formula:
C16H20Br2N2S
Molecular Weight:
432.2164
IUPAC Name:
4-(4-bromophenyl)-2-(1-ethylpiperidin-4-yl)-1,3-thiazole;hydrobromide
InChI:
InChI=1S/C16H19BrN2S.BrH/c1-2-19-9-7-13(8-10-19)16-18-15(11-20-16)12-3-5-14(17)6-4-12;/h3-6,11,13H,2,7-10H2,1H3;1H
InChI Key:
KKCCMWLINVHQDL-UHFFFAOYSA-N
SMILES:
CCN1CCC(CC1)c1scc(n1)c1ccc(cc1)Br.Br
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.969g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
432.218g/mol
Monoisotopic Mass:
429.971g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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