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Home > Boronic Acids > 756520-72-6
756520-72-6 | 4-(1,1-Dioxido-2-isothiazolidinyl)phenylboronicAcidPinacolEster
CAS No: 756520-72-6 Catalog No: AG00ICNH MDL No:MFCD26937568
Product Description
Catalog Number:
AG00ICNH
Chemical Name:
4-(1,1-Dioxido-2-isothiazolidinyl)phenylboronicAcidPinacolEster
CAS Number:
756520-72-6
Molecular Formula:
C15H22BNO4S
Molecular Weight:
323.2155
MDL Number:
MFCD26937568
IUPAC Name:
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,2-thiazolidine 1,1-dioxide
InChI:
InChI=1S/C15H22BNO4S/c1-14(2)15(3,4)21-16(20-14)12-6-8-13(9-7-12)17-10-5-11-22(17,18)19/h6-9H,5,10-11H2,1-4H3
InChI Key:
PYVUDSAMLHAQCJ-UHFFFAOYSA-N
SMILES:
O=S1(=O)CCCN1c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.136g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.214g/mol
Monoisotopic Mass:
323.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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