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Home > Boronic Acids > 936250-23-6
936250-23-6 | 3-(2,2-DIFLUORO-ETHOXY)-4,5-DIFLUORO-BENZENEBORONIC ACID
CAS No: 936250-23-6 Catalog No: AG006ETL MDL No:
Product Description
Catalog Number:
AG006ETL
Chemical Name:
3-(2,2-DIFLUORO-ETHOXY)-4,5-DIFLUORO-BENZENEBORONIC ACID
CAS Number:
936250-23-6
Molecular Formula:
C8H7BF4O3
Molecular Weight:
237.9440
IUPAC Name:
[3-(2,2-difluoroethoxy)-4,5-difluorophenyl]boronic acid
InChI:
InChI=1S/C8H7BF4O3/c10-5-1-4(9(14)15)2-6(8(5)13)16-3-7(11)12/h1-2,7,14-15H,3H2
InChI Key:
YOWBSHPKPTTYFK-UHFFFAOYSA-N
SMILES:
FC(COc1cc(cc(c1F)F)B(O)O)F
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.042g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.945g/mol
Monoisotopic Mass:
238.042g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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