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Home > Boronic Acids > 864754-17-6
864754-17-6 | 1-[1,3]Dioxolan-2-ylmethyl-1H-pyrazole-4-boronic acid, pinacol ester
CAS No: 864754-17-6 Catalog No: AG0032I7 MDL No:MFCD08272028
Product Description
Catalog Number:
AG0032I7
Chemical Name:
1-[1,3]Dioxolan-2-ylmethyl-1H-pyrazole-4-boronic acid, pinacol ester
CAS Number:
864754-17-6
Molecular Formula:
C13H21BN2O4
Molecular Weight:
280.1278
MDL Number:
MFCD08272028
IUPAC Name:
1-(1,3-dioxolan-2-ylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C13H21BN2O4/c1-12(2)13(3,4)20-14(19-12)10-7-15-16(8-10)9-11-17-5-6-18-11/h7-8,11H,5-6,9H2,1-4H3
InChI Key:
IWEGDQUCWQFKHS-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cnn(c1)CC1OCCO1
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.159g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.131g/mol
Monoisotopic Mass:
280.159g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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