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1072944-29-6 | tert-Butyl 3-(1,3,6,2-dioxazaborocan-2-yl)pyrrolidine-1-carboxylate
CAS No: 1072944-29-6 Catalog No: AG003D4E MDL No:MFCD09953469
Product Description
Catalog Number:
AG003D4E
Chemical Name:
tert-Butyl 3-(1,3,6,2-dioxazaborocan-2-yl)pyrrolidine-1-carboxylate
CAS Number:
1072944-29-6
Molecular Formula:
C13H25BN2O4
Molecular Weight:
284.1596
MDL Number:
MFCD09953469
IUPAC Name:
tert-butyl 3-(1,3,6,2-dioxazaborocan-2-yl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C13H25BN2O4/c1-13(2,3)20-12(17)16-7-4-11(10-16)14-18-8-5-15-6-9-19-14/h11,15H,4-10H2,1-3H3
InChI Key:
GNOPTGDXIZOUNY-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(C1)B1OCCNCCO1)OC(C)(C)C
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.191g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.163g/mol
Monoisotopic Mass:
284.191g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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