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Home > Boronic Acids > 884868-03-5
884868-03-5 | 3-(Butylthio)phenylboronic acid
CAS No: 884868-03-5 Catalog No: AG008AGK MDL No:MFCD18837604
Product Description
Catalog Number:
AG008AGK
Chemical Name:
3-(Butylthio)phenylboronic acid
CAS Number:
884868-03-5
Molecular Formula:
C10H15BO2S
Molecular Weight:
210.1009
MDL Number:
MFCD18837604
IUPAC Name:
(3-butylsulfanylphenyl)boronic acid
InChI:
InChI=1S/C10H15BO2S/c1-2-3-7-14-10-6-4-5-9(8-10)11(12)13/h4-6,8,12-13H,2-3,7H2,1H3
InChI Key:
IUUFIYSSJHKAAN-UHFFFAOYSA-N
SMILES:
CCCCSc1cccc(c1)B(O)O
Properties
Complexity:
155
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:
5
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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