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872495-48-2 | Borinic acid, (4-chlorophenyl)(4-fluorophenyl)-
CAS No: 872495-48-2 Catalog No: AG004R25 MDL No:
Product Description
Catalog Number:
AG004R25
Chemical Name:
Borinic acid, (4-chlorophenyl)(4-fluorophenyl)-
CAS Number:
872495-48-2
Molecular Formula:
C12H9BClFO
Molecular Weight:
234.4617
IUPAC Name:
(4-chlorophenyl)-(4-fluorophenyl)borinic acid
InChI:
InChI=1S/C12H9BClFO/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,16H
InChI Key:
FEPXYFJQUVSRGQ-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)B(c1ccc(cc1)Cl)O
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.042g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.461g/mol
Monoisotopic Mass:
234.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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