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Home > Boronic Acids > 1409999-54-7
1409999-54-7 | 2,2-dimethyl-N-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanamide
CAS No: 1409999-54-7 Catalog No: AG00HVYY MDL No:MFCD09842849
Product Description
Catalog Number:
AG00HVYY
Chemical Name:
2,2-dimethyl-N-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanamide
CAS Number:
1409999-54-7
Molecular Formula:
C17H26BNO3
Molecular Weight:
303.2042
MDL Number:
MFCD09842849
IUPAC Name:
2,2-dimethyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanamide
InChI:
InChI=1S/C17H26BNO3/c1-15(2,3)14(20)19-13-10-8-12(9-11-13)18-21-16(4,5)17(6,7)22-18/h8-11H,1-7H3,(H,19,20)
InChI Key:
IGYCMBQKZPTDFG-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)Nc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.201g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.209g/mol
Monoisotopic Mass:
303.201g/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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