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Home > Bromides > 1227381-94-3
1227381-94-3 | 1-Azetidinecarboxylic acid, 3-[(3-bromo-2-pyridinyl)oxy]-, 1,1-dimethylethyl ester
CAS No: 1227381-94-3 Catalog No: AG000J8B MDL No:MFCD17012880
Product Description
Catalog Number:
AG000J8B
Chemical Name:
1-Azetidinecarboxylic acid, 3-[(3-bromo-2-pyridinyl)oxy]-, 1,1-dimethylethyl ester
CAS Number:
1227381-94-3
Molecular Formula:
C13H17BrN2O3
Molecular Weight:
329.1897
MDL Number:
MFCD17012880
IUPAC Name:
tert-butyl 3-(3-bromopyridin-2-yl)oxyazetidine-1-carboxylate
InChI:
InChI=1S/C13H17BrN2O3/c1-13(2,3)19-12(17)16-7-9(8-16)18-11-10(14)5-4-6-15-11/h4-6,9H,7-8H2,1-3H3
InChI Key:
PTMREHLSIQVEMU-UHFFFAOYSA-N
SMILES:
O=C(N1CC(C1)Oc1ncccc1Br)OC(C)(C)C
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.042g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.194g/mol
Monoisotopic Mass:
328.042g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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