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Home > Boronic Acids > 1448637-05-5
1448637-05-5 | 4-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenylethynyl]-benzoic acid methyl ester
CAS No: 1448637-05-5 Catalog No: AG00HX8C MDL No:MFCD16294527
Product Description
Catalog Number:
AG00HX8C
Chemical Name:
4-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenylethynyl]-benzoic acid methyl ester
CAS Number:
1448637-05-5
Molecular Formula:
C22H23BO4
Molecular Weight:
362.2266
MDL Number:
MFCD16294527
IUPAC Name:
methyl 4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl]benzoate
InChI:
InChI=1S/C22H23BO4/c1-21(2)22(3,4)27-23(26-21)19-14-10-17(11-15-19)7-6-16-8-12-18(13-9-16)20(24)25-5/h8-15H,1-5H3
InChI Key:
SGGJQXOMPWFXNR-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)C#Cc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
582
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.169g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.232g/mol
Monoisotopic Mass:
362.169g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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