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Home > Boronic Acids > 2096337-96-9
2096337-96-9 | 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]isothiazole
CAS No: 2096337-96-9 Catalog No: AG01DW7O MDL No:MFCD16995928
Product Description
Catalog Number:
AG01DW7O
Chemical Name:
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]isothiazole
CAS Number:
2096337-96-9
Molecular Formula:
C13H16BNO2S
Molecular Weight:
261.1476
MDL Number:
MFCD16995928
IUPAC Name:
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1-benzothiazole
InChI:
InChI=1S/C13H16BNO2S/c1-12(2)13(3,4)17-14(16-12)10-5-6-11-9(7-10)8-18-15-11/h5-8H,1-4H3
InChI Key:
HOLSSEGFCIOQOI-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccc2c(c1)csn2
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.099g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.146g/mol
Monoisotopic Mass:
261.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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