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Home > Boronic Acids > 1217501-05-7
1217501-05-7 | Boronic acid, B-[3-[(1,1-dimethylethyl)thio]phenyl]-
CAS No: 1217501-05-7 Catalog No: AG0015RJ MDL No:MFCD12913938
Product Description
Catalog Number:
AG0015RJ
Chemical Name:
Boronic acid, B-[3-[(1,1-dimethylethyl)thio]phenyl]-
CAS Number:
1217501-05-7
Molecular Formula:
C10H15BO2S
Molecular Weight:
210.1009
MDL Number:
MFCD12913938
IUPAC Name:
(3-tert-butylsulfanylphenyl)boronic acid
InChI:
InChI=1S/C10H15BO2S/c1-10(2,3)14-9-6-4-5-8(7-9)11(12)13/h4-7,12-13H,1-3H3
InChI Key:
WARYEXGCYYRRPN-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)SC(C)(C)C)O
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.089g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.098g/mol
Monoisotopic Mass:
210.089g/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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