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Home > Boronic Acids > 947533-09-7
947533-09-7 | 3-Fluoro-4-(2,2,2-trifluoroethoxy)phenylboronic acid
CAS No: 947533-09-7 Catalog No: AG00IIIF MDL No:MFCD09258747
Product Description
Catalog Number:
AG00IIIF
Chemical Name:
3-Fluoro-4-(2,2,2-trifluoroethoxy)phenylboronic acid
CAS Number:
947533-09-7
Molecular Formula:
C8H7BF4O3
Molecular Weight:
237.9440
MDL Number:
MFCD09258747
IUPAC Name:
[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]boronic acid
InChI:
InChI=1S/C8H7BF4O3/c10-6-3-5(9(14)15)1-2-7(6)16-4-8(11,12)13/h1-3,14-15H,4H2
InChI Key:
DPSYYQDRJMHAGP-UHFFFAOYSA-N
SMILES:
Fc1cc(ccc1OCC(F)(F)F)B(O)O
Properties
Complexity:
224
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:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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