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Home > Bromides > 1353978-61-6
1353978-61-6 | 3-(6-Bromo-pyridin-2-ylsulfanyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
CAS No: 1353978-61-6 Catalog No: AG01F3Z4 MDL No:
Product Description
Catalog Number:
AG01F3Z4
Chemical Name:
3-(6-Bromo-pyridin-2-ylsulfanyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
CAS Number:
1353978-61-6
Molecular Formula:
C14H19BrN2O2S
Molecular Weight:
359.2819
IUPAC Name:
tert-butyl 3-(6-bromopyridin-2-yl)sulfanylpyrrolidine-1-carboxylate
InChI:
InChI=1S/C14H19BrN2O2S/c1-14(2,3)19-13(18)17-8-7-10(9-17)20-12-6-4-5-11(15)16-12/h4-6,10H,7-9H2,1-3H3
InChI Key:
GDQRVZIKLKMRFO-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(C1)Sc1cccc(n1)Br)OC(C)(C)C
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.035g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.282g/mol
Monoisotopic Mass:
358.035g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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