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957060-84-3

957060-84-3 | (2-Fluoro-4-(methylthio)phenyl)boronic acid

CAS No: 957060-84-3 Catalog No: AG00H842 MDL No:MFCD09027247

Product Description

Catalog Number:
AG00H842
Chemical Name:
(2-Fluoro-4-(methylthio)phenyl)boronic acid
CAS Number:
957060-84-3
Molecular Formula:
C7H8BFO2S
Molecular Weight:
186.0116
MDL Number:
MFCD09027247
IUPAC Name:
(2-fluoro-4-methylsulfanylphenyl)boronic acid
InChI:
InChI=1S/C7H8BFO2S/c1-12-5-2-3-6(8(10)11)7(9)4-5/h2-4,10-11H,1H3
InChI Key:
OUFPJVWVFXZKOX-UHFFFAOYSA-N
SMILES:
CSc1ccc(c(c1)F)B(O)O

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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