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88654-21-1 | Piperidine, 4-[4-(4-bromophenyl)-2-thiazolyl]-1-methyl-
CAS No: 88654-21-1 Catalog No: AG0048XH MDL No:
Product Description
Catalog Number:
AG0048XH
Chemical Name:
Piperidine, 4-[4-(4-bromophenyl)-2-thiazolyl]-1-methyl-
CAS Number:
88654-21-1
Molecular Formula:
C15H17BrN2S
Molecular Weight:
337.2779
IUPAC Name:
4-(4-bromophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole
InChI:
InChI=1S/C15H17BrN2S/c1-18-8-6-12(7-9-18)15-17-14(10-19-15)11-2-4-13(16)5-3-11/h2-5,10,12H,6-9H2,1H3
InChI Key:
XQHPNZKXJCUVJY-UHFFFAOYSA-N
SMILES:
CN1CCC(CC1)c1scc(n1)c1ccc(cc1)Br
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.03g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.279g/mol
Monoisotopic Mass:
336.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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