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Home > Bromides > 1353947-54-2
1353947-54-2 | 2-(6-Bromo-pyridin-2-ylsulfanylmethyl)-piperidine-1-carboxylic acid tert-butyl ester
CAS No: 1353947-54-2 Catalog No: AG01F3HK MDL No:
Product Description
Catalog Number:
AG01F3HK
Chemical Name:
2-(6-Bromo-pyridin-2-ylsulfanylmethyl)-piperidine-1-carboxylic acid tert-butyl ester
CAS Number:
1353947-54-2
Molecular Formula:
C16H23BrN2O2S
Molecular Weight:
387.3350
IUPAC Name:
tert-butyl 2-[(6-bromopyridin-2-yl)sulfanylmethyl]piperidine-1-carboxylate
InChI:
InChI=1S/C16H23BrN2O2S/c1-16(2,3)21-15(20)19-10-5-4-7-12(19)11-22-14-9-6-8-13(17)18-14/h6,8-9,12H,4-5,7,10-11H2,1-3H3
InChI Key:
SISNUJNWHZSMAF-UHFFFAOYSA-N
SMILES:
O=C(N1CCCCC1CSc1cccc(n1)Br)OC(C)(C)C
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.066g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
387.336g/mol
Monoisotopic Mass:
386.066g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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