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Home > Boronic Acids > 1218790-65-8
1218790-65-8 | Boronic acid, B-[5-fluoro-2-(methylthio)phenyl]-
CAS No: 1218790-65-8 Catalog No: AG00169F MDL No:MFCD15143469
Product Description
Catalog Number:
AG00169F
Chemical Name:
Boronic acid, B-[5-fluoro-2-(methylthio)phenyl]-
CAS Number:
1218790-65-8
Molecular Formula:
C7H8BFO2S
Molecular Weight:
186.0116
MDL Number:
MFCD15143469
IUPAC Name:
(5-fluoro-2-methylsulfanylphenyl)boronic acid
InChI:
InChI=1S/C7H8BFO2S/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4,10-11H,1H3
InChI Key:
UNHPHSXZIHGFFA-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1B(O)O)F
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.032g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.007g/mol
Monoisotopic Mass:
186.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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