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Home > Boronic Acids > 1034287-04-1
1034287-04-1 | 4-Ethynylbenzeneboronic acid pinacol ester, 95%
CAS No: 1034287-04-1 Catalog No: AG00906Z MDL No:MFCD16294504
Product Description
Catalog Number:
AG00906Z
Chemical Name:
4-Ethynylbenzeneboronic acid pinacol ester, 95%
CAS Number:
1034287-04-1
Molecular Formula:
C14H17BO2
Molecular Weight:
228.0946
MDL Number:
MFCD16294504
IUPAC Name:
2-(4-ethynylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C14H17BO2/c1-6-11-7-9-12(10-8-11)15-16-13(2,3)14(4,5)17-15/h1,7-10H,2-5H3
InChI Key:
LOVNTFMVZVIASV-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.132g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.098g/mol
Monoisotopic Mass:
228.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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