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Home > Boronic Acids > 1222007-94-4

1222007-94-4

1222007-94-4 | Boronic acid, B,B'-9,9'-spirobi[9H-fluorene]-2,2'-diylbis-

CAS No: 1222007-94-4 Catalog No: AG0016XW MDL No:

Product Description

Catalog Number:
AG0016XW
Chemical Name:
Boronic acid, B,B'-9,9'-spirobi[9H-fluorene]-2,2'-diylbis-
CAS Number:
1222007-94-4
Molecular Formula:
C25H18B2O4
Molecular Weight:
404.0300
IUPAC Name:
(2'-borono-9,9'-spirobi[fluorene]-2-yl)boronic acid
InChI:
InChI=1S/C25H18B2O4/c28-26(29)15-9-11-19-17-5-1-3-7-21(17)25(23(19)13-15)22-8-4-2-6-18(22)20-12-10-16(27(30)31)14-24(20)25/h1-14,28-31H
InChI Key:
DFILURRLHYVTKW-UHFFFAOYSA-N
SMILES:
OB(c1ccc2c(c1)C1(c3c2cccc3)c2ccccc2c2c1cc(cc2)B(O)O)O

Properties

Complexity:
616  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.139g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
404.035g/mol
Monoisotopic Mass:
404.139g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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