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Home > Boronic Acids > 956907-34-9
956907-34-9 | 1-[2-(oxan-2-yloxy)ethyl]-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS No: 956907-34-9 Catalog No: AG00IJCN MDL No:MFCD16294418
Product Description
Catalog Number:
AG00IJCN
Chemical Name:
1-[2-(oxan-2-yloxy)ethyl]-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS Number:
956907-34-9
Molecular Formula:
C16H27BN2O4
Molecular Weight:
322.2076
MDL Number:
MFCD16294418
IUPAC Name:
1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C16H27BN2O4/c1-15(2)16(3,4)23-17(22-15)13-11-18-19(12-13)8-10-21-14-7-5-6-9-20-14/h11-12,14H,5-10H2,1-4H3
InChI Key:
YWRBLSYOLXMZGA-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cnn(c1)CCOC1CCCCO1
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.206g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.212g/mol
Monoisotopic Mass:
322.206g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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