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1899905-99-7 | 2-METHYL-4-METHYLTHIOPHENYLBORONIC ACID PINACOL ESTER
CAS No: 1899905-99-7 Catalog No: AG01E652 MDL No:
Product Description
Catalog Number:
AG01E652
Chemical Name:
2-METHYL-4-METHYLTHIOPHENYLBORONIC ACID PINACOL ESTER
CAS Number:
1899905-99-7
Molecular Formula:
C14H21BO2S
Molecular Weight:
264.1913
IUPAC Name:
4,4,5,5-tetramethyl-2-(2-methyl-4-methylsulfanylphenyl)-1,3,2-dioxaborolane
InChI:
InChI=1S/C14H21BO2S/c1-10-9-11(18-6)7-8-12(10)15-16-13(2,3)14(4,5)17-15/h7-9H,1-6H3
InChI Key:
PVXPZIHCLZQKJF-UHFFFAOYSA-N
SMILES:
CSc1ccc(c(c1)C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.136g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.19g/mol
Monoisotopic Mass:
264.136g/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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