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Home > Boronic Acids > 942070-88-4
942070-88-4 | 4-Bromo-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS No: 942070-88-4 Catalog No: AG006OCV MDL No:MFCD12405502
Product Description
Catalog Number:
AG006OCV
Chemical Name:
4-Bromo-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS Number:
942070-88-4
Molecular Formula:
C10H16BBrN2O2
Molecular Weight:
286.9612
MDL Number:
MFCD12405502
IUPAC Name:
4-bromo-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C10H16BBrN2O2/c1-9(2)10(3,4)16-11(15-9)8-7(12)6-13-14(8)5/h6H,1-5H3
InChI Key:
WSTPLIAWLPGTLO-UHFFFAOYSA-N
SMILES:
Brc1cnn(c1B1OC(C(O1)(C)C)(C)C)C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.049g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.964g/mol
Monoisotopic Mass:
286.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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