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Home > Boronic Acids > 881402-22-8
881402-22-8 | (2-Fluoro-5-(trifluoromethoxy)phenyl)boronic acid
CAS No: 881402-22-8 Catalog No: AG008C2T MDL No:MFCD09027234
Product Description
Catalog Number:
AG008C2T
Chemical Name:
(2-Fluoro-5-(trifluoromethoxy)phenyl)boronic acid
CAS Number:
881402-22-8
Molecular Formula:
C7H5BF4O3
Molecular Weight:
223.9174
MDL Number:
MFCD09027234
IUPAC Name:
[2-fluoro-5-(trifluoromethoxy)phenyl]boronic acid
InChI:
InChI=1S/C7H5BF4O3/c9-6-2-1-4(15-7(10,11)12)3-5(6)8(13)14/h1-3,13-14H
InChI Key:
NGTLLTDDJHXHQE-UHFFFAOYSA-N
SMILES:
OB(c1cc(ccc1F)OC(F)(F)F)O
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.027g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.918g/mol
Monoisotopic Mass:
224.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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