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Home > Boronic Acids > 1268242-41-6
1268242-41-6 | 4-sec-Butylphenylboronic acid pinacol ester
CAS No: 1268242-41-6 Catalog No: AG00HRL0 MDL No:MFCD22493526
Product Description
Catalog Number:
AG00HRL0
Chemical Name:
4-sec-Butylphenylboronic acid pinacol ester
CAS Number:
1268242-41-6
Molecular Formula:
C16H25BO2
Molecular Weight:
260.1795
MDL Number:
MFCD22493526
IUPAC Name:
2-(4-butan-2-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C16H25BO2/c1-7-12(2)13-8-10-14(11-9-13)17-18-15(3,4)16(5,6)19-17/h8-12H,7H2,1-6H3
InChI Key:
KFJSDLRVUFZWGX-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.195g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.184g/mol
Monoisotopic Mass:
260.195g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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