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Home > Boronic Acids > 827614-69-7
827614-69-7 | 1-Propyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS No: 827614-69-7 Catalog No: AG004TQ2 MDL No:MFCD05663871
Product Description
Catalog Number:
AG004TQ2
Chemical Name:
1-Propyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS Number:
827614-69-7
Molecular Formula:
C12H21BN2O2
Molecular Weight:
236.1183
MDL Number:
MFCD05663871
IUPAC Name:
1-propyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C12H21BN2O2/c1-6-7-15-9-10(8-14-15)13-16-11(2,3)12(4,5)17-13/h8-9H,6-7H2,1-5H3
InChI Key:
BKLGYJWLZWMIDO-UHFFFAOYSA-N
SMILES:
CCCn1ncc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.17g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.122g/mol
Monoisotopic Mass:
236.17g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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