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Home > Boronic Acids > 362045-33-8

362045-33-8

362045-33-8 | Boronic acid, [2-(ethylthio)phenyl]-

CAS No: 362045-33-8 Catalog No: AG00I76E MDL No:MFCD03095256

Product Description

Catalog Number:
AG00I76E
Chemical Name:
Boronic acid, [2-(ethylthio)phenyl]-
CAS Number:
362045-33-8
Molecular Formula:
C8H11BO2S
Molecular Weight:
182.0477
MDL Number:
MFCD03095256
IUPAC Name:
(2-ethylsulfanylphenyl)boronic acid
InChI:
InChI=1S/C8H11BO2S/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6,10-11H,2H2,1H3
InChI Key:
SCGSNVLNGRYSAA-UHFFFAOYSA-N
SMILES:
CCSc1ccccc1B(O)O

Properties

Complexity:
132  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.057g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
182.044g/mol
Monoisotopic Mass:
182.057g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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