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Home > Boronic Acids > 1190376-24-9
1190376-24-9 | 2-[4-(4-Methoxy-phenylethynyl)-phenyl]-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane
CAS No: 1190376-24-9 Catalog No: AG00HEVN MDL No:MFCD16294533
Product Description
Catalog Number:
AG00HEVN
Chemical Name:
2-[4-(4-Methoxy-phenylethynyl)-phenyl]-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane
CAS Number:
1190376-24-9
Molecular Formula:
C21H23BO3
Molecular Weight:
334.2165
MDL Number:
MFCD16294533
IUPAC Name:
2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C21H23BO3/c1-20(2)21(3,4)25-22(24-20)18-12-8-16(9-13-18)6-7-17-10-14-19(23-5)15-11-17/h8-15H,1-5H3
InChI Key:
RRYKLXOOBFDYDY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C#Cc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.174g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.222g/mol
Monoisotopic Mass:
334.174g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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