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Home > Boronic Acids > 885069-14-7
885069-14-7 | N-(6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]thiazol-2-yl)acetamide
CAS No: 885069-14-7 Catalog No: AG003SDQ MDL No:MFCD22571502
Product Description
Catalog Number:
AG003SDQ
Chemical Name:
N-(6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]thiazol-2-yl)acetamide
CAS Number:
885069-14-7
Molecular Formula:
C15H19BN2O3S
Molecular Weight:
318.1990
MDL Number:
MFCD22571502
IUPAC Name:
N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide
InChI:
InChI=1S/C15H19BN2O3S/c1-9(19)17-13-18-11-7-6-10(8-12(11)22-13)16-20-14(2,3)15(4,5)21-16/h6-8H,1-5H3,(H,17,18,19)
InChI Key:
CBVRCXVIFJCOJK-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1nc2c(s1)cc(cc2)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.198g/mol
Monoisotopic Mass:
318.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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