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Home > Boronic Acids > 847818-71-7
847818-71-7 | 1-(2-Methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS No: 847818-71-7 Catalog No: AG0036FL MDL No:MFCD12405649
Product Description
Catalog Number:
AG0036FL
Chemical Name:
1-(2-Methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS Number:
847818-71-7
Molecular Formula:
C12H21BN2O3
Molecular Weight:
252.1177
MDL Number:
MFCD12405649
IUPAC Name:
1-(2-methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C12H21BN2O3/c1-11(2)12(3,4)18-13(17-11)10-8-14-15(9-10)6-7-16-5/h8-9H,6-7H2,1-5H3
InChI Key:
NZMICYAXDXTDJV-UHFFFAOYSA-N
SMILES:
COCCn1ncc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.165g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.121g/mol
Monoisotopic Mass:
252.165g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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