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Home > Boronic Acids > 957065-83-7

957065-83-7

957065-83-7 | (3-Fluoro-2-methoxy-5-(methylthio)phenyl)boronic acid

CAS No: 957065-83-7 Catalog No: AG005YDM MDL No:MFCD09878322

Product Description

Catalog Number:
AG005YDM
Chemical Name:
(3-Fluoro-2-methoxy-5-(methylthio)phenyl)boronic acid
CAS Number:
957065-83-7
Molecular Formula:
C8H10BFO3S
Molecular Weight:
216.0376
MDL Number:
MFCD09878322
IUPAC Name:
(3-fluoro-2-methoxy-5-methylsulfanylphenyl)boronic acid
InChI:
InChI=1S/C8H10BFO3S/c1-13-8-6(9(11)12)3-5(14-2)4-7(8)10/h3-4,11-12H,1-2H3
InChI Key:
MFVOICXWNBMJAT-UHFFFAOYSA-N
SMILES:
COc1c(F)cc(cc1B(O)O)SC

Properties

Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.043g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
216.033g/mol
Monoisotopic Mass:
216.043g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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