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872495-80-2 | Borinic acid, (3,4-dichlorophenyl)(3-fluorophenyl)-
CAS No: 872495-80-2 Catalog No: AG004MKX MDL No:
Product Description
Catalog Number:
AG004MKX
Chemical Name:
Borinic acid, (3,4-dichlorophenyl)(3-fluorophenyl)-
CAS Number:
872495-80-2
Molecular Formula:
C12H8BCl2FO
Molecular Weight:
268.9067
IUPAC Name:
(3,4-dichlorophenyl)-(3-fluorophenyl)borinic acid
InChI:
InChI=1S/C12H8BCl2FO/c14-11-5-4-9(7-12(11)15)13(17)8-2-1-3-10(16)6-8/h1-7,17H
InChI Key:
HQJBLWGDIRLTNF-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)B(c1ccc(c(c1)Cl)Cl)O
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.003g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.903g/mol
Monoisotopic Mass:
268.003g/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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