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Home > Boronic Acids > 411235-57-9
411235-57-9 | Cyclopropylboronic acid
CAS No: 411235-57-9 Catalog No: AG0034O8 MDL No:MFCD04038750
Product Description
Catalog Number:
AG0034O8
Chemical Name:
Cyclopropylboronic acid
CAS Number:
411235-57-9
Molecular Formula:
C3H7BO2
Molecular Weight:
85.8975
MDL Number:
MFCD04038750
IUPAC Name:
cyclopropylboronic acid
InChI:
InChI=1S/C3H7BO2/c5-4(6)3-1-2-3/h3,5-6H,1-2H2
InChI Key:
WLVKDFJTYKELLQ-UHFFFAOYSA-N
SMILES:
OB(C1CC1)O
Properties
Complexity:
50.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
86.054g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
85.897g/mol
Monoisotopic Mass:
86.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Aminopyrazine inhibitors binding to an unusual inactive conformation of the mitotic kinase Nek2: SAR and structural characterization. | Journal of medicinal chemistry 20101111 |
| Copper-promoted N-cyclopropylation of anilines and amines by cyclopropylboronic acid. | Chemical communications (Cambridge, England) 20100521 |
| Copper-mediated N-cyclopropylation of azoles, amides, and sulfonamides by cyclopropylboronic acid. | The Journal of organic chemistry 20080815 |
| N-cyclopropylation of indoles and cyclic amides with copper(II) reagent. | Organic letters 20080417 |
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