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Home > Boronic Acids > 847818-77-3
847818-77-3 | 1-(3-Methylbutyl);-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);-1H-pyrazole
CAS No: 847818-77-3 Catalog No: AG004RHH MDL No:MFCD12405507
Product Description
Catalog Number:
AG004RHH
Chemical Name:
1-(3-Methylbutyl);-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);-1H-pyrazole
CAS Number:
847818-77-3
Molecular Formula:
C14H25BN2O2
Molecular Weight:
264.1715
MDL Number:
MFCD12405507
IUPAC Name:
1-(3-methylbutyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C14H25BN2O2/c1-11(2)8-10-17-12(7-9-16-17)15-18-13(3,4)14(5,6)19-15/h7,9,11H,8,10H2,1-6H3
InChI Key:
GUIPYLOXXJTKQD-UHFFFAOYSA-N
SMILES:
CC(CCn1nccc1B1OC(C(O1)(C)C)(C)C)C
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.201g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.176g/mol
Monoisotopic Mass:
264.201g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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