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Home > Boronic Acids > 852227-94-2
852227-94-2 | 1-[3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]-1H-PYRAZOLE
CAS No: 852227-94-2 Catalog No: AG004M5G MDL No:MFCD07368520
Product Description
Catalog Number:
AG004M5G
Chemical Name:
1-[3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]-1H-PYRAZOLE
CAS Number:
852227-94-2
Molecular Formula:
C15H19BN2O2
Molecular Weight:
270.1346
MDL Number:
MFCD07368520
IUPAC Name:
1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole
InChI:
InChI=1S/C15H19BN2O2/c1-14(2)15(3,4)20-16(19-14)12-7-5-8-13(11-12)18-10-6-9-17-18/h5-11H,1-4H3
InChI Key:
GVSCNAOZDQCWJJ-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cccc(c1)n1cccn1
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.154g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.139g/mol
Monoisotopic Mass:
270.154g/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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