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1073371-76-2

1073371-76-2 | 3-(4-MORPHOLINOMETHYL)-PHENYLBORONIC ACID PINACOL ESTER HYDROCHLORIDE

CAS No: 1073371-76-2 Catalog No: AG008UPM MDL No:MFCD06657893

Product Description

Catalog Number:
AG008UPM
Chemical Name:
3-(4-MORPHOLINOMETHYL)-PHENYLBORONIC ACID PINACOL ESTER HYDROCHLORIDE
CAS Number:
1073371-76-2
Molecular Formula:
C17H27BClNO3
Molecular Weight:
339.6652
MDL Number:
MFCD06657893
IUPAC Name:
4-[[3-(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)15-7-5-6-14(12-15)13-19-8-10-20-11-9-19;/h5-7,12H,8-11,13H2,1-4H3;1H
InChI Key:
SESGBRITCBGLIH-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cccc(c1)CN1CCOCC1.Cl

Properties

Complexity:
366  
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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