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Home > Boronic Acids > 850411-12-0
850411-12-0 | (3-Fluoro-2-(trifluoromethyl)phenyl)boronic acid
CAS No: 850411-12-0 Catalog No: AG004SUX MDL No:MFCD08706086
Product Description
Catalog Number:
AG004SUX
Chemical Name:
(3-Fluoro-2-(trifluoromethyl)phenyl)boronic acid
CAS Number:
850411-12-0
Molecular Formula:
C7H5BF4O2
Molecular Weight:
207.9180
MDL Number:
MFCD08706086
IUPAC Name:
[3-fluoro-2-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C7H5BF4O2/c9-5-3-1-2-4(8(13)14)6(5)7(10,11)12/h1-3,13-14H
InChI Key:
BGSVFTCXIJCNOU-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1C(F)(F)F)F)O
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.032g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.919g/mol
Monoisotopic Mass:
208.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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