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Home > Boronic Acids > 1256346-08-3
1256346-08-3 | Boronic acid, B-[2-(methylthio)-5-(trifluoromethyl)-3-pyridinyl]-
CAS No: 1256346-08-3 Catalog No: AG000O1L MDL No:MFCD16295069
Product Description
Catalog Number:
AG000O1L
Chemical Name:
Boronic acid, B-[2-(methylthio)-5-(trifluoromethyl)-3-pyridinyl]-
CAS Number:
1256346-08-3
Molecular Formula:
C7H7BF3NO2S
Molecular Weight:
237.0072
MDL Number:
MFCD16295069
IUPAC Name:
[2-methylsulfanyl-5-(trifluoromethyl)pyridin-3-yl]boronic acid
InChI:
InChI=1S/C7H7BF3NO2S/c1-15-6-5(8(13)14)2-4(3-12-6)7(9,10)11/h2-3,13-14H,1H3
InChI Key:
XXLJAJGFTXZTBB-UHFFFAOYSA-N
SMILES:
CSc1ncc(cc1B(O)O)C(F)(F)F
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.024g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.003g/mol
Monoisotopic Mass:
237.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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