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1795770-75-0 | 4,4,5,5-tetramethyl-2-{2-[4-(methylsulfanyl)phenyl]ethenyl}-1,3,2-dioxaborolane
CAS No: 1795770-75-0 Catalog No: AG01DSMB MDL No:
Product Description
Catalog Number:
AG01DSMB
Chemical Name:
4,4,5,5-tetramethyl-2-{2-[4-(methylsulfanyl)phenyl]ethenyl}-1,3,2-dioxaborolane
CAS Number:
1795770-75-0
Molecular Formula:
C15H21BO2S
Molecular Weight:
276.2020
IUPAC Name:
4,4,5,5-tetramethyl-2-[2-(4-methylsulfanylphenyl)ethenyl]-1,3,2-dioxaborolane
InChI:
InChI=1S/C15H21BO2S/c1-14(2)15(3,4)18-16(17-14)11-10-12-6-8-13(19-5)9-7-12/h6-11H,1-5H3
InChI Key:
UTTUXTQAJSLCJX-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)C=CB1OC(C(O1)(C)C)(C)C
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.201g/mol
Monoisotopic Mass:
276.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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