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Home > Boronic Acids > 1256345-56-8
1256345-56-8 | Boronic acid, B-[2-(propylthio)-5-(trifluoromethyl)-3-pyridinyl]-
CAS No: 1256345-56-8 Catalog No: AG000O09 MDL No:MFCD16660276
Product Description
Catalog Number:
AG000O09
Chemical Name:
Boronic acid, B-[2-(propylthio)-5-(trifluoromethyl)-3-pyridinyl]-
CAS Number:
1256345-56-8
Molecular Formula:
C9H11BF3NO2S
Molecular Weight:
265.0603
MDL Number:
MFCD16660276
IUPAC Name:
[2-propylsulfanyl-5-(trifluoromethyl)pyridin-3-yl]boronic acid
InChI:
InChI=1S/C9H11BF3NO2S/c1-2-3-17-8-7(10(15)16)4-6(5-14-8)9(11,12)13/h4-5,15-16H,2-3H2,1H3
InChI Key:
HODNOVPEGNYLMV-UHFFFAOYSA-N
SMILES:
CCCSc1ncc(cc1B(O)O)C(F)(F)F
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.056g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
265.057g/mol
Monoisotopic Mass:
265.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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