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Home > Boronic Acids > 1072945-09-5
1072945-09-5 | 2-METHYLSULFANYLPHENYLBORONIC ACID, PINACOL ESTER
CAS No: 1072945-09-5 Catalog No: AG008S70 MDL No:MFCD05155219
Product Description
Catalog Number:
AG008S70
Chemical Name:
2-METHYLSULFANYLPHENYLBORONIC ACID, PINACOL ESTER
CAS Number:
1072945-09-5
Molecular Formula:
C13H19BO2S
Molecular Weight:
250.1648
MDL Number:
MFCD05155219
IUPAC Name:
4,4,5,5-tetramethyl-2-(2-methylsulfanylphenyl)-1,3,2-dioxaborolane
InChI:
InChI=1S/C13H19BO2S/c1-12(2)13(3,4)16-14(15-12)10-8-6-7-9-11(10)17-5/h6-9H,1-5H3
InChI Key:
SLJWZEVOGXSTOM-UHFFFAOYSA-N
SMILES:
CSc1ccccc1B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.12g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.163g/mol
Monoisotopic Mass:
250.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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