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1353954-67-2 | 3-(6-Bromo-pyridin-2-ylsulfanylmethyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
CAS No: 1353954-67-2 Catalog No: AG01F3F3 MDL No:
Product Description
Catalog Number:
AG01F3F3
Chemical Name:
3-(6-Bromo-pyridin-2-ylsulfanylmethyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
CAS Number:
1353954-67-2
Molecular Formula:
C15H21BrN2O2S
Molecular Weight:
373.3084
IUPAC Name:
tert-butyl 3-[(6-bromopyridin-2-yl)sulfanylmethyl]pyrrolidine-1-carboxylate
InChI:
InChI=1S/C15H21BrN2O2S/c1-15(2,3)20-14(19)18-8-7-11(9-18)10-21-13-6-4-5-12(16)17-13/h4-6,11H,7-10H2,1-3H3
InChI Key:
RSINZTBCANNEPQ-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(C1)CSc1cccc(n1)Br)OC(C)(C)C
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.051g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
373.309g/mol
Monoisotopic Mass:
372.051g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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