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Home > Boronic Acids > 1256345-55-7
1256345-55-7 | Boronic acid, B-[2-(ethylthio)-5-(trifluoromethyl)-3-pyridinyl]-
CAS No: 1256345-55-7 Catalog No: AG000O0A MDL No:MFCD16660275
Product Description
Catalog Number:
AG000O0A
Chemical Name:
Boronic acid, B-[2-(ethylthio)-5-(trifluoromethyl)-3-pyridinyl]-
CAS Number:
1256345-55-7
Molecular Formula:
C8H9BF3NO2S
Molecular Weight:
251.0338
MDL Number:
MFCD16660275
IUPAC Name:
[2-ethylsulfanyl-5-(trifluoromethyl)pyridin-3-yl]boronic acid
InChI:
InChI=1S/C8H9BF3NO2S/c1-2-16-7-6(9(14)15)3-5(4-13-7)8(10,11)12/h3-4,14-15H,2H2,1H3
InChI Key:
CAMZNTNANGCVOZ-UHFFFAOYSA-N
SMILES:
CCSc1ncc(cc1B(O)O)C(F)(F)F
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.04g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.03g/mol
Monoisotopic Mass:
251.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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