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Home > Boronic Acids > 879487-10-2
879487-10-2 | 1-Isopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);-1H-pyrazole
CAS No: 879487-10-2 Catalog No: AG008BYN MDL No:MFCD11867881
Product Description
Catalog Number:
AG008BYN
Chemical Name:
1-Isopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);-1H-pyrazole
CAS Number:
879487-10-2
Molecular Formula:
C12H21BN2O2
Molecular Weight:
236.1183
MDL Number:
MFCD11867881
IUPAC Name:
1-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C12H21BN2O2/c1-9(2)15-8-10(7-14-15)13-16-11(3,4)12(5,6)17-13/h7-9H,1-6H3
InChI Key:
OGYYMVGDKVJYSU-UHFFFAOYSA-N
SMILES:
CC(n1ncc(c1)B1OC(C(O1)(C)C)(C)C)C
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.17g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.122g/mol
Monoisotopic Mass:
236.17g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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