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2246676-49-1 | 2-methyl-N-[2-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanamide
CAS No: 2246676-49-1 Catalog No: AG00QIHS MDL No:
Product Description
Catalog Number:
AG00QIHS
Chemical Name:
2-methyl-N-[2-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanamide
CAS Number:
2246676-49-1
Molecular Formula:
C16H24BNO3
Molecular Weight:
289.1777
IUPAC Name:
2-methyl-N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanamide
InChI:
InChI=1S/C16H24BNO3/c1-11(2)14(19)18-13-10-8-7-9-12(13)17-20-15(3,4)16(5,6)21-17/h7-11H,1-6H3,(H,18,19)
InChI Key:
DTYSXQCMDQRNQS-UHFFFAOYSA-N
SMILES:
O=C(C(C)C)Nc1ccccc1B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.185g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.182g/mol
Monoisotopic Mass:
289.185g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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