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Home > Boronic Acids > 625458-85-7
625458-85-7 | 4-Butylphenylboronic acid pinacol ester
CAS No: 625458-85-7 Catalog No: AG00EL9Z MDL No:MFCD20527105
Product Description
Catalog Number:
AG00EL9Z
Chemical Name:
4-Butylphenylboronic acid pinacol ester
CAS Number:
625458-85-7
Molecular Formula:
C16H25BO2
Molecular Weight:
260.1795
MDL Number:
MFCD20527105
IUPAC Name:
2-(4-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C16H25BO2/c1-6-7-8-13-9-11-14(12-10-13)17-18-15(2,3)16(4,5)19-17/h9-12H,6-8H2,1-5H3
InChI Key:
CUOOVGGNLPMDIC-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
277
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:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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