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Home > Boronic Acids > 1919837-50-5
1919837-50-5 | 2-[1-(ethanesulfonyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]azetidin-3-yl]acetonitrile
CAS No: 1919837-50-5 Catalog No: AG00IL0N MDL No:
Product Description
Catalog Number:
AG00IL0N
Chemical Name:
2-[1-(ethanesulfonyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]azetidin-3-yl]acetonitrile
CAS Number:
1919837-50-5
Molecular Formula:
C16H25BN4O4S
Molecular Weight:
380.2701
IUPAC Name:
2-[1-ethylsulfonyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile
InChI:
InChI=1S/C16H25BN4O4S/c1-6-26(22,23)20-11-16(12-20,7-8-18)21-10-13(9-19-21)17-24-14(2,3)15(4,5)25-17/h9-10H,6-7,11-12H2,1-5H3
InChI Key:
LHTUCYOPHHHUEE-UHFFFAOYSA-N
SMILES:
N#CCC1(CN(C1)S(=O)(=O)CC)n1ncc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
690
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.169g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.27g/mol
Monoisotopic Mass:
380.169g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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