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1056475-66-1

1056475-66-1 | 3-METHYLSULFINYLPHENYLBORONIC ACID

CAS No: 1056475-66-1 Catalog No: AG007DZD MDL No:MFCD02093071

Product Description

Catalog Number:
AG007DZD
Chemical Name:
3-METHYLSULFINYLPHENYLBORONIC ACID
CAS Number:
1056475-66-1
Molecular Formula:
C7H9BO3S
Molecular Weight:
184.0206
MDL Number:
MFCD02093071
IUPAC Name:
(3-methylsulfinylphenyl)boronic acid
InChI:
InChI=1S/C7H9BO3S/c1-12(11)7-4-2-3-6(5-7)8(9)10/h2-5,9-10H,1H3
InChI Key:
XYLPYIANRLXCDW-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)S(=O)C)O

Properties

Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.037g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
184.016g/mol
Monoisotopic Mass:
184.037g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

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