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Home > Bromides > 1314354-48-7
1314354-48-7 | (S)-3-(6-Bromo-pyridin-2-yloxy)-pyrrolidine-1-carboxylic acid tert-butyl ester
CAS No: 1314354-48-7 Catalog No: AG01ES59 MDL No:
Product Description
Catalog Number:
AG01ES59
Chemical Name:
(S)-3-(6-Bromo-pyridin-2-yloxy)-pyrrolidine-1-carboxylic acid tert-butyl ester
CAS Number:
1314354-48-7
Molecular Formula:
C14H19BrN2O3
Molecular Weight:
343.2163
IUPAC Name:
tert-butyl (3S)-3-(6-bromopyridin-2-yl)oxypyrrolidine-1-carboxylate
InChI:
InChI=1S/C14H19BrN2O3/c1-14(2,3)20-13(18)17-8-7-10(9-17)19-12-6-4-5-11(15)16-12/h4-6,10H,7-9H2,1-3H3/t10-/m0/s1
InChI Key:
ZRFJQKNHKZIZGW-JTQLQIEISA-N
SMILES:
O=C(N1CC[C@@H](C1)Oc1cccc(n1)Br)OC(C)(C)C
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
342.058g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.221g/mol
Monoisotopic Mass:
342.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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