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Home > Boronic Acids > 936250-24-7
936250-24-7 | 3-(2,2,2-TRIFLUORO-ETHOXY)-4,5-DIFLUORO-BENZENEBORONIC ACID
CAS No: 936250-24-7 Catalog No: AG0061X3 MDL No:
Product Description
Catalog Number:
AG0061X3
Chemical Name:
3-(2,2,2-TRIFLUORO-ETHOXY)-4,5-DIFLUORO-BENZENEBORONIC ACID
CAS Number:
936250-24-7
Molecular Formula:
C8H6BF5O3
Molecular Weight:
255.9345
IUPAC Name:
[3,4-difluoro-5-(2,2,2-trifluoroethoxy)phenyl]boronic acid
InChI:
InChI=1S/C8H6BF5O3/c10-5-1-4(9(15)16)2-6(7(5)11)17-3-8(12,13)14/h1-2,15-16H,3H2
InChI Key:
CDDYENUINDWWMW-UHFFFAOYSA-N
SMILES:
Fc1cc(cc(c1F)OCC(F)(F)F)B(O)O
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.033g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.935g/mol
Monoisotopic Mass:
256.033g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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