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Home > Boronic Acids > 1133796-50-5

1133796-50-5

1133796-50-5 | Boronic acid, B-[1,1':3',1''-terphenyl]-2-yl-

CAS No: 1133796-50-5 Catalog No: AG0008CS MDL No:MFCD26793502

Product Description

Catalog Number:
AG0008CS
Chemical Name:
Boronic acid, B-[1,1':3',1''-terphenyl]-2-yl-
CAS Number:
1133796-50-5
Molecular Formula:
C18H15BO2
Molecular Weight:
274.1215
MDL Number:
MFCD26793502
IUPAC Name:
[2-(3-phenylphenyl)phenyl]boronic acid
InChI:
InChI=1S/C18H15BO2/c20-19(21)18-12-5-4-11-17(18)16-10-6-9-15(13-16)14-7-2-1-3-8-14/h1-13,20-21H
InChI Key:
XIZLXGRTCCYWCE-UHFFFAOYSA-N
SMILES:
OB(c1ccccc1c1cccc(c1)c1ccccc1)O

Properties

Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.117g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
274.126g/mol
Monoisotopic Mass:
274.117g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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