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Home > Boronic Acids > 850411-13-1
850411-13-1 | (3-Methyl-5-(trifluoromethyl)phenyl)boronic acid
CAS No: 850411-13-1 Catalog No: AG004SUW MDL No:MFCD06657728
Product Description
Catalog Number:
AG004SUW
Chemical Name:
(3-Methyl-5-(trifluoromethyl)phenyl)boronic acid
CAS Number:
850411-13-1
Molecular Formula:
C8H8BF3O2
Molecular Weight:
203.9541
MDL Number:
MFCD06657728
IUPAC Name:
[3-methyl-5-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C8H8BF3O2/c1-5-2-6(8(10,11)12)4-7(3-5)9(13)14/h2-4,13-14H,1H3
InChI Key:
ZZLZUGHSZSVQMK-UHFFFAOYSA-N
SMILES:
Cc1cc(cc(c1)C(F)(F)F)B(O)O
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.057g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.955g/mol
Monoisotopic Mass:
204.057g/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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