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188527-03-9 | 1-Piperidinecarboxylic acid, 4-[(4-bromophenyl)thio]-, 1,1-dimethylethyl ester
CAS No: 188527-03-9 Catalog No: AG002GY8 MDL No:
Product Description
Catalog Number:
AG002GY8
Chemical Name:
1-Piperidinecarboxylic acid, 4-[(4-bromophenyl)thio]-, 1,1-dimethylethyl ester
CAS Number:
188527-03-9
Molecular Formula:
C16H22BrNO2S
Molecular Weight:
372.3204
IUPAC Name:
tert-butyl 4-(4-bromophenyl)sulfanylpiperidine-1-carboxylate
InChI:
InChI=1S/C16H22BrNO2S/c1-16(2,3)20-15(19)18-10-8-14(9-11-18)21-13-6-4-12(17)5-7-13/h4-7,14H,8-11H2,1-3H3
InChI Key:
ZZOAAIWOHGSKMZ-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)Sc1ccc(cc1)Br)OC(C)(C)C
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.055g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.321g/mol
Monoisotopic Mass:
371.055g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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