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Home > Boronic Acids > 1218789-36-6
1218789-36-6 | Methanesulfonamide, N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyrimidinyl]-
CAS No: 1218789-36-6 Catalog No: AG00166H MDL No:MFCD12546566
Product Description
Catalog Number:
AG00166H
Chemical Name:
Methanesulfonamide, N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyrimidinyl]-
CAS Number:
1218789-36-6
Molecular Formula:
C11H18BN3O4S
Molecular Weight:
299.1543
MDL Number:
MFCD12546566
IUPAC Name:
N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]methanesulfonamide
InChI:
InChI=1S/C11H18BN3O4S/c1-10(2)11(3,4)19-12(18-10)8-6-13-9(14-7-8)15-20(5,16)17/h6-7H,1-5H3,(H,13,14,15)
InChI Key:
YZKTWEGVBYAEQG-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)Nc1ncc(cn1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.152g/mol
Monoisotopic Mass:
299.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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