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Home > Boronic Acids > 1701449-45-7
1701449-45-7 | 4-Fluoro-3-methoxy-5-(trifluoromethyl)phenylboronic acid
CAS No: 1701449-45-7 Catalog No: AG00HZDJ MDL No:MFCD21332932
Product Description
Catalog Number:
AG00HZDJ
Chemical Name:
4-Fluoro-3-methoxy-5-(trifluoromethyl)phenylboronic acid
CAS Number:
1701449-45-7
Molecular Formula:
C8H7BF4O3
Molecular Weight:
237.9440
MDL Number:
MFCD21332932
IUPAC Name:
[4-fluoro-3-methoxy-5-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C8H7BF4O3/c1-16-6-3-4(9(14)15)2-5(7(6)10)8(11,12)13/h2-3,14-15H,1H3
InChI Key:
PTPKNQLKGQLZKZ-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1F)C(F)(F)F)B(O)O
Properties
Complexity:
236
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:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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