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Home > Boronic Acids > 1029684-36-3
1029684-36-3 | 2-Chloro-1-(tetrahydro-2H-pyran-2-yl)-1H-imidazole-5-boronic acid pinacol ester
CAS No: 1029684-36-3 Catalog No: AG008SMY MDL No:MFCD11100958
Product Description
Catalog Number:
AG008SMY
Chemical Name:
2-Chloro-1-(tetrahydro-2H-pyran-2-yl)-1H-imidazole-5-boronic acid pinacol ester
CAS Number:
1029684-36-3
Molecular Formula:
C14H22BClN2O3
Molecular Weight:
312.6001
MDL Number:
MFCD11100958
IUPAC Name:
2-chloro-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole
InChI:
InChI=1S/C14H22BClN2O3/c1-13(2)14(3,4)21-15(20-13)10-9-17-12(16)18(10)11-7-5-6-8-19-11/h9,11H,5-8H2,1-4H3
InChI Key:
PWGDGTMRINKIRS-UHFFFAOYSA-N
SMILES:
Clc1ncc(n1C1CCCCO1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.141g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.601g/mol
Monoisotopic Mass:
312.141g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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