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Home > Boronic Acids > 956388-05-9
956388-05-9 | 1-(Tetrahydropyran-2-yl);-4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl);-1H-indazole
CAS No: 956388-05-9 Catalog No: AG006CBZ MDL No:MFCD18207194
Product Description
Catalog Number:
AG006CBZ
Chemical Name:
1-(Tetrahydropyran-2-yl);-4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl);-1H-indazole
CAS Number:
956388-05-9
Molecular Formula:
C18H25BN2O3
Molecular Weight:
328.2137
MDL Number:
MFCD18207194
IUPAC Name:
1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
InChI:
InChI=1S/C18H25BN2O3/c1-17(2)18(3,4)24-19(23-17)14-8-7-9-15-13(14)12-20-21(15)16-10-5-6-11-22-16/h7-9,12,16H,5-6,10-11H2,1-4H3
InChI Key:
NWAGHQGLQLEDIZ-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cccc2c1cnn2C1CCCCO1
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.196g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.219g/mol
Monoisotopic Mass:
328.196g/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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