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Home > Boronic Acids > 944591-57-5
944591-57-5 | 4-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)morpholine hydrochloride
CAS No: 944591-57-5 Catalog No: AG00H7HW MDL No:MFCD06657894
Product Description
Catalog Number:
AG00H7HW
Chemical Name:
4-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)morpholine hydrochloride
CAS Number:
944591-57-5
Molecular Formula:
C17H27BClNO3
Molecular Weight:
339.6652
MDL Number:
MFCD06657894
IUPAC Name:
4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine;hydrochloride
InChI:
InChI=1S/C17H26BNO3.ClH/c1-16(2)17(3,4)22-18(21-16)15-7-5-14(6-8-15)13-19-9-11-20-12-10-19;/h5-8H,9-13H2,1-4H3;1H
InChI Key:
XUHPRNOSIRFDFA-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccc(cc1)CN1CCOCC1.Cl
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.177g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
339.667g/mol
Monoisotopic Mass:
339.177g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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