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Home > Boronic Acids > 936923-42-1
936923-42-1 | ETHYL 5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZO[D]ISOTHIAZOLE-3-CARBOXYLATE
CAS No: 936923-42-1 Catalog No: AG0061I8 MDL No:
Product Description
Catalog Number:
AG0061I8
Chemical Name:
ETHYL 5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZO[D]ISOTHIAZOLE-3-CARBOXYLATE
CAS Number:
936923-42-1
Molecular Formula:
C16H20BNO4S
Molecular Weight:
333.2103
IUPAC Name:
ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-benzothiazole-3-carboxylate
InChI:
InChI=1S/C16H20BNO4S/c1-6-20-14(19)13-11-9-10(7-8-12(11)23-18-13)17-21-15(2,3)16(4,5)22-17/h7-9H,6H2,1-5H3
InChI Key:
MBFRDWOIQVAZEF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nsc2c1cc(cc2)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.121g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.209g/mol
Monoisotopic Mass:
333.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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