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Home > Boronic Acids > 1217500-97-4
1217500-97-4 | Boronic acid, B-[4-[(2-methylpropyl)thio]phenyl]-
CAS No: 1217500-97-4 Catalog No: AG0015RR MDL No:MFCD12546543
Product Description
Catalog Number:
AG0015RR
Chemical Name:
Boronic acid, B-[4-[(2-methylpropyl)thio]phenyl]-
CAS Number:
1217500-97-4
Molecular Formula:
C10H15BO2S
Molecular Weight:
210.1009
MDL Number:
MFCD12546543
IUPAC Name:
[4-(2-methylpropylsulfanyl)phenyl]boronic acid
InChI:
InChI=1S/C10H15BO2S/c1-8(2)7-14-10-5-3-9(4-6-10)11(12)13/h3-6,8,12-13H,7H2,1-2H3
InChI Key:
ROAGXTNYXGUULT-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)SCC(C)C)O
Properties
Complexity:
156
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:
4
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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