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Home > Boronic Acids > 718641-97-5
718641-97-5 | 1,3,2-Dioxaborolane, 2-(3-chloro-5-fluorophenyl)-
CAS No: 718641-97-5 Catalog No: AG005PL6 MDL No:
Product Description
Catalog Number:
AG005PL6
Chemical Name:
1,3,2-Dioxaborolane, 2-(3-chloro-5-fluorophenyl)-
CAS Number:
718641-97-5
Molecular Formula:
C8H7BClFO2
Molecular Weight:
200.4024
IUPAC Name:
2-(3-chloro-5-fluorophenyl)-1,3,2-dioxaborolane
InChI:
InChI=1S/C8H7BClFO2/c10-7-3-6(4-8(11)5-7)9-12-1-2-13-9/h3-5H,1-2H2
InChI Key:
KQBKJGFWGXQHGJ-UHFFFAOYSA-N
SMILES:
Fc1cc(Cl)cc(c1)B1OCCO1
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.021g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.4g/mol
Monoisotopic Mass:
200.021g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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