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Home > Boronic Acids > 1793003-82-3
1793003-82-3 | 3-Ethoxy-2-fluoro-5-(trifluoromethoxy)phenylboronic acid
CAS No: 1793003-82-3 Catalog No: AG00HZY2 MDL No:MFCD21609533
Product Description
Catalog Number:
AG00HZY2
Chemical Name:
3-Ethoxy-2-fluoro-5-(trifluoromethoxy)phenylboronic acid
CAS Number:
1793003-82-3
Molecular Formula:
C9H9BF4O4
Molecular Weight:
267.9700
MDL Number:
MFCD21609533
IUPAC Name:
[3-ethoxy-2-fluoro-5-(trifluoromethoxy)phenyl]boronic acid
InChI:
InChI=1S/C9H9BF4O4/c1-2-17-7-4-5(18-9(12,13)14)3-6(8(7)11)10(15)16/h3-4,15-16H,2H2,1H3
InChI Key:
MXNMKFPYPKBZGI-UHFFFAOYSA-N
SMILES:
CCOc1cc(cc(c1F)B(O)O)OC(F)(F)F
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.053g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
267.971g/mol
Monoisotopic Mass:
268.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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