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2246698-15-5 | N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanamide
CAS No: 2246698-15-5 Catalog No: AG00J0HX MDL No:MFCD14585587
Product Description
Catalog Number:
AG00J0HX
Chemical Name:
N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanamide
CAS Number:
2246698-15-5
Molecular Formula:
C15H22BNO3
Molecular Weight:
275.1511
MDL Number:
MFCD14585587
IUPAC Name:
N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanamide
InChI:
InChI=1S/C15H22BNO3/c1-6-13(18)17-12-9-7-11(8-10-12)16-19-14(2,3)15(4,5)20-16/h7-10H,6H2,1-5H3,(H,17,18)
InChI Key:
WTQZLABSDSKGLC-UHFFFAOYSA-N
SMILES:
CCC(=O)Nc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.169g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.155g/mol
Monoisotopic Mass:
275.169g/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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