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Home > Boronic Acids > 1206594-12-8
1206594-12-8 | 4-(1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethyl)morpholine
CAS No: 1206594-12-8 Catalog No: AG00HFJW MDL No:MFCD18383925
Product Description
Catalog Number:
AG00HFJW
Chemical Name:
4-(1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethyl)morpholine
CAS Number:
1206594-12-8
Molecular Formula:
C18H28BNO3
Molecular Weight:
317.2308
MDL Number:
MFCD18383925
IUPAC Name:
4-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]morpholine
InChI:
InChI=1S/C18H28BNO3/c1-14(20-10-12-21-13-11-20)15-6-8-16(9-7-15)19-22-17(2,3)18(4,5)23-19/h6-9,14H,10-13H2,1-5H3
InChI Key:
RIQMSWOLENZXFK-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)N1CCOCC1
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.216g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.236g/mol
Monoisotopic Mass:
317.216g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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