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872495-55-1 | Borinic acid, (3-chlorophenyl)(4-fluorophenyl)-
CAS No: 872495-55-1 Catalog No: AG004ML5 MDL No:
Product Description
Catalog Number:
AG004ML5
Chemical Name:
Borinic acid, (3-chlorophenyl)(4-fluorophenyl)-
CAS Number:
872495-55-1
Molecular Formula:
C12H9BClFO
Molecular Weight:
234.4617
IUPAC Name:
(3-chlorophenyl)-(4-fluorophenyl)borinic acid
InChI:
InChI=1S/C12H9BClFO/c14-11-3-1-2-10(8-11)13(16)9-4-6-12(15)7-5-9/h1-8,16H
InChI Key:
IDTPPBNOIRHXEC-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)B(c1cccc(c1)Cl)O
Properties
Complexity:
221
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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