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Home > Boronic Acids > 1256345-53-5
1256345-53-5 | Boronic acid, B-[2-(butylthio)-5-(trifluoromethyl)-3-pyridinyl]-
CAS No: 1256345-53-5 Catalog No: AG000O0C MDL No:MFCD16660273
Product Description
Catalog Number:
AG000O0C
Chemical Name:
Boronic acid, B-[2-(butylthio)-5-(trifluoromethyl)-3-pyridinyl]-
CAS Number:
1256345-53-5
Molecular Formula:
C10H13BF3NO2S
Molecular Weight:
279.0869
MDL Number:
MFCD16660273
IUPAC Name:
[2-butylsulfanyl-5-(trifluoromethyl)pyridin-3-yl]boronic acid
InChI:
InChI=1S/C10H13BF3NO2S/c1-2-3-4-18-9-8(11(16)17)5-7(6-15-9)10(12,13)14/h5-6,16-17H,2-4H2,1H3
InChI Key:
ROCAGVUKVGNBMZ-UHFFFAOYSA-N
SMILES:
CCCCSc1ncc(cc1B(O)O)C(F)(F)F
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.071g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
279.084g/mol
Monoisotopic Mass:
279.071g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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